N-[3-[[3-(1-aminoethenyl)phenyl]methyl]-4-hydroxy-1-phenylbutan-2-yl]-4-(4-aminophenyl)benzamide;N-[3-[[3-(1-aminoethenyl)phenyl]methyl]-4-hydroxy-1-phenylbutan-2-yl]-4-(2,4-diaminophenyl)benzamide;N-[3-[[3-(1-aminoethenyl)phenyl]methyl]-4-hydroxy-1-phenylbutan-2-yl]-4-(4-methylphenyl)benzamide

C97H101N9O6 — CID 91054095

IUPACN-[3-[[3-(1-aminoethenyl)phenyl]methyl]-4-hydroxy-1-phenylbutan-2-yl]-4-(4-aminophenyl)benzamide;N-[3-[[3-(1-aminoethenyl)phenyl]methyl]-4-hydroxy-1-phenylbutan-2-yl]-4-(2,4-diaminophenyl)benzamide;N-[3-[[3-(1-aminoethenyl)phenyl]methyl]-4-hydroxy-1-phenylbutan-2-yl]-4-(4-methylphenyl)benzamide
SMILESC=C(N)c1cccc(CC(CO)C(Cc2ccccc2)NC(=O)c2ccc(-c3ccc(C)cc3)cc2)c1.C=C(N)c1cccc(CC(CO)C(Cc2ccccc2)NC(=O)c2ccc(-c3ccc(N)cc3)cc2)c1.C=C(N)c1cccc(CC(CO)C(Cc2ccccc2)NC(=O)c2ccc(-c3ccc(N)cc3N)cc2)c1
InChIInChI=1S/C33H34N2O2.C32H34N4O2.C32H33N3O2/c1-23-11-13-27(14-12-23)28-15-17-29(18-16-28)33(37)35-32(21-25-7-4-3-5-8-25)31(22-36)20-26-9-6-10-30(19-26)24(2)34;1-21(33)26-9-5-8-23(16-26)17-27(20-37)31(18-22-6-3-2-4-7-22)36-32(38)25-12-10-24(11-13-25)29-15-14-28(34)19-30(29)35;1-22(33)28-9-5-8-24(18-28)19-29(21-36)31(20-23-6-3-2-4-7-23)35-32(37)27-12-10-25(11-13-27)26-14-16-30(34)17-15-26/h3-19,31-32,36H,2,20-22,34H2,1H3,(H,35,37);2-16,19,27,31,37H,1,17-18,20,33-35H2,(H,36,38);2-18,29,31,36H,1,19-21,33-34H2,(H,35,37)
InChIKeyUIXDRPIPDMYEPC-UHFFFAOYSA-N
MW1488.93 g/mol
LogP15.48
Rot. Bonds30

About N-[3-[[3-(1-aminoethenyl)phenyl]methyl]-4-hydroxy-1-phenylbutan-2-yl]-4-(4-aminophenyl)benzamide;N-[3-[[3-(1-aminoethenyl)phenyl]methyl]-4-hydroxy-1-phenylbutan-2-yl]-4-(2,4-diaminophenyl)benzamide;N-[3-[[3-(1-aminoethenyl)phenyl]methyl]-4-hydroxy-1-phenylbutan-2-yl]-4-(4-methylphenyl)benzamide

N-[3-[[3-(1-aminoethenyl)phenyl]methyl]-4-hydroxy-1-phenylbutan-2-yl]-4-(4-aminophenyl)benzamide;N-[3-[[3-(1-aminoethenyl)phenyl]methyl]-4-hydroxy-1-phenylbutan-2-yl]-4-(2,4-diaminophenyl)benzamide;N-[3-[[3-(1-aminoethenyl)phenyl]methyl]-4-hydroxy-1-phenylbutan-2-yl]-4-(4-methylphenyl)benzamide (PubChem CID 91054095) has the molecular formula C97H101N9O6 and a molecular weight of 1488.93 g/mol. Its IUPAC name is N-[3-[[3-(1-aminoethenyl)phenyl]methyl]-4-hydroxy-1-phenylbutan-2-yl]-4-(4-aminophenyl)benzamide;N-[3-[[3-(1-aminoethenyl)phenyl]methyl]-4-hydroxy-1-phenylbutan-2-yl]-4-(2,4-diaminophenyl)benzamide;N-[3-[[3-(1-aminoethenyl)phenyl]methyl]-4-hydroxy-1-phenylbutan-2-yl]-4-(4-methylphenyl)benzamide.

Molecular Properties

Compound NameN-[3-[[3-(1-aminoethenyl)phenyl]methyl]-4-hydroxy-1-phenylbutan-2-yl]-4-(4-aminophenyl)benzamide;N-[3-[[3-(1-aminoethenyl)phenyl]methyl]-4-hydroxy-1-phenylbutan-2-yl]-4-(2,4-diaminophenyl)benzamide;N-[3-[[3-(1-aminoethenyl)phenyl]methyl]-4-hydroxy-1-phenylbutan-2-yl]-4-(4-methylphenyl)benzamide
PubChem CID91054095
Molecular FormulaC97H101N9O6
Molecular Weight1488.93 g/mol
Exact Mass1487.79
IUPAC NameN-[3-[[3-(1-aminoethenyl)phenyl]methyl]-4-hydroxy-1-phenylbutan-2-yl]-4-(4-aminophenyl)benzamide;N-[3-[[3-(1-aminoethenyl)phenyl]methyl]-4-hydroxy-1-phenylbutan-2-yl]-4-(2,4-diaminophenyl)benzamide;N-[3-[[3-(1-aminoethenyl)phenyl]methyl]-4-hydroxy-1-phenylbutan-2-yl]-4-(4-methylphenyl)benzamide
SMILESC=C(N)c1cccc(CC(CO)C(Cc2ccccc2)NC(=O)c2ccc(-c3ccc(C)cc3)cc2)c1.C=C(N)c1cccc(CC(CO)C(Cc2ccccc2)NC(=O)c2ccc(-c3ccc(N)cc3)cc2)c1.C=C(N)c1cccc(CC(CO)C(Cc2ccccc2)NC(=O)c2ccc(-c3ccc(N)cc3N)cc2)c1
InChIInChI=1S/C33H34N2O2.C32H34N4O2.C32H33N3O2/c1-23-11-13-27(14-12-23)28-15-17-29(18-16-28)33(37)35-32(21-25-7-4-3-5-8-25)31(22-36)20-26-9-6-10-30(19-26)24(2)34;1-21(33)26-9-5-8-23(16-26)17-27(20-37)31(18-22-6-3-2-4-7-22)36-32(38)25-12-10-24(11-13-25)29-15-14-28(34)19-30(29)35;1-22(33)28-9-5-8-24(18-28)19-29(21-36)31(20-23-6-3-2-4-7-23)35-32(37)27-12-10-25(11-13-27)26-14-16-30(34)17-15-26/h3-19,31-32,36H,2,20-22,34H2,1H3,(H,35,37);2-16,19,27,31,37H,1,17-18,20,33-35H2,(H,36,38);2-18,29,31,36H,1,19-21,33-34H2,(H,35,37)
InChIKeyUIXDRPIPDMYEPC-UHFFFAOYSA-N
XLogP15.48
TPSA304.11 Ų
H-Bond Donors12
H-Bond Acceptors12
Rotatable Bonds30
Heavy Atoms112
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001488.93
LogP ≤ 515.48
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze N-[3-[[3-(1-aminoethenyl)phenyl]methyl]-4-hydroxy-1-phenylbutan-2-yl]-4-(4-aminophenyl)benzamide;N-[3-[[3-(1-aminoethenyl)phenyl]methyl]-4-hydroxy-1-phenylbutan-2-yl]-4-(2,4-diaminophenyl)benzamide;N-[3-[[3-(1-aminoethenyl)phenyl]methyl]-4-hydroxy-1-phenylbutan-2-yl]-4-(4-methylphenyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-[[3-(1-aminoethenyl)phenyl]methyl]-4-hydroxy-1-phenylbutan-2-yl]-4-(4-aminophenyl)benzamide
CID 20707983
4-(3-aminophenyl)-N-[3-[(3-carbamimidoylphenyl)methyl]-4-hydroxy-1-phenylbutan-2-yl]benzamide
CID 20707956
N-[1-[3-(1-aminoethenyl)phenyl]-2-(hydroxymethyl)-5-phenylpentan-3-yl]-4-(4-fluorophenyl)benzamide
CID 20707909
N-[3-[(3-carbamimidoylphenyl)methyl]-4-hydroxy-1-phenylbutan-2-yl]-4-(3-hydroxyphenyl)benzamide
CID 20708240
actinium;N-[1-(3-carbamimidoylphenyl)-2-(hydroxymethyl)-5-phenylpentan-3-yl]-4-(3,4-dimethoxyphenyl)benzamide
CID 20707918
methyl 2-[[3-(1-aminoethenyl)phenyl]methyl]-3-[[4-[3-(aminomethyl)phenyl]benzoyl]amino]-4-phenylmethoxybutanoate
CID 54186636
N-[(2S,3R)-3,4-dihydroxy-1-phenylbutan-2-yl]benzamide
CID 15293513
4-amino-N-[1-(dimethylamino)-3-phenylpropan-2-yl]benzamide;hydrochloride
CID 117067649
methyl 2-[(3-carbamimidoylphenyl)methyl]-3-[(4-phenylbenzoyl)amino]butanoate
CID 20708080
4-methyl-N-(1-phenylbut-3-en-2-yl)benzamide
CID 19365215
methyl 3-[[4-[3-(aminomethyl)phenyl]benzoyl]amino]-2-[(3-carbamimidoylphenyl)methyl]-4-hydroxybutanoate
CID 20708061
3-methyl-N-[(2S)-1-phenylbutan-2-yl]benzamide
CID 2226546

Frequently Asked Questions

What is the IUPAC name of N-[3-[[3-(1-aminoethenyl)phenyl]methyl]-4-hydroxy-1-phenylbutan-2-yl]-4-(4-aminophenyl)benzamide;N-[3-[[3-(1-aminoethenyl)phenyl]methyl]-4-hydroxy-1-phenylbutan-2-yl]-4-(2,4-diaminophenyl)benzamide;N-[3-[[3-(1-aminoethenyl)phenyl]methyl]-4-hydroxy-1-phenylbutan-2-yl]-4-(4-methylphenyl)benzamide?
The IUPAC name of N-[3-[[3-(1-aminoethenyl)phenyl]methyl]-4-hydroxy-1-phenylbutan-2-yl]-4-(4-aminophenyl)benzamide;N-[3-[[3-(1-aminoethenyl)phenyl]methyl]-4-hydroxy-1-phenylbutan-2-yl]-4-(2,4-diaminophenyl)benzamide;N-[3-[[3-(1-aminoethenyl)phenyl]methyl]-4-hydroxy-1-phenylbutan-2-yl]-4-(4-methylphenyl)benzamide (CID 91054095) is N-[3-[[3-(1-aminoethenyl)phenyl]methyl]-4-hydroxy-1-phenylbutan-2-yl]-4-(4-aminophenyl)benzamide;N-[3-[[3-(1-aminoethenyl)phenyl]methyl]-4-hydroxy-1-phenylbutan-2-yl]-4-(2,4-diaminophenyl)benzamide;N-[3-[[3-(1-aminoethenyl)phenyl]methyl]-4-hydroxy-1-phenylbutan-2-yl]-4-(4-methylphenyl)benzamide.
What is the SMILES notation for N-[3-[[3-(1-aminoethenyl)phenyl]methyl]-4-hydroxy-1-phenylbutan-2-yl]-4-(4-aminophenyl)benzamide;N-[3-[[3-(1-aminoethenyl)phenyl]methyl]-4-hydroxy-1-phenylbutan-2-yl]-4-(2,4-diaminophenyl)benzamide;N-[3-[[3-(1-aminoethenyl)phenyl]methyl]-4-hydroxy-1-phenylbutan-2-yl]-4-(4-methylphenyl)benzamide?
The canonical SMILES for N-[3-[[3-(1-aminoethenyl)phenyl]methyl]-4-hydroxy-1-phenylbutan-2-yl]-4-(4-aminophenyl)benzamide;N-[3-[[3-(1-aminoethenyl)phenyl]methyl]-4-hydroxy-1-phenylbutan-2-yl]-4-(2,4-diaminophenyl)benzamide;N-[3-[[3-(1-aminoethenyl)phenyl]methyl]-4-hydroxy-1-phenylbutan-2-yl]-4-(4-methylphenyl)benzamide is C=C(N)c1cccc(CC(CO)C(Cc2ccccc2)NC(=O)c2ccc(-c3ccc(C)cc3)cc2)c1.C=C(N)c1cccc(CC(CO)C(Cc2ccccc2)NC(=O)c2ccc(-c3ccc(N)cc3)cc2)c1.C=C(N)c1cccc(CC(CO)C(Cc2ccccc2)NC(=O)c2ccc(-c3ccc(N)cc3N)cc2)c1.
What is the InChIKey of N-[3-[[3-(1-aminoethenyl)phenyl]methyl]-4-hydroxy-1-phenylbutan-2-yl]-4-(4-aminophenyl)benzamide;N-[3-[[3-(1-aminoethenyl)phenyl]methyl]-4-hydroxy-1-phenylbutan-2-yl]-4-(2,4-diaminophenyl)benzamide;N-[3-[[3-(1-aminoethenyl)phenyl]methyl]-4-hydroxy-1-phenylbutan-2-yl]-4-(4-methylphenyl)benzamide?
The InChIKey is UIXDRPIPDMYEPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H34N2O2.C32H34N4O2.C32H33N3O2/c1-23-11-13-27(14-12-23)28-15-17-29(18-16-28)33(37)35-32(21-25-7-4-3-5-8-25)31(22-36)20-26-9-6-10-30(19-26)24(2)34;1-21(33)26-9-5-8-23(16-26)17-27(20-37)31(18-22-6-3-2-4-7-22)36-32(38)25-12-10-24(11-13-25)29-15-14-28(34)19-30(29)35;1-22(33)28-9-5-8-24(18-28)19-29(21-36)31(20-23-6-3-2-4-7-23)35-32(37)27-12-10-25(11-13-27)26-14-16-30(34)17-15-26/h3-19,31-32,36H,2,20-22,34H2,1H3,(H,35,37);2-16,19,27,31,37H,1,17-18,20,33-35H2,(H,36,38);2-18,29,31,36H,1,19-21,33-34H2,(H,35,37).
What are the key properties of N-[3-[[3-(1-aminoethenyl)phenyl]methyl]-4-hydroxy-1-phenylbutan-2-yl]-4-(4-aminophenyl)benzamide;N-[3-[[3-(1-aminoethenyl)phenyl]methyl]-4-hydroxy-1-phenylbutan-2-yl]-4-(2,4-diaminophenyl)benzamide;N-[3-[[3-(1-aminoethenyl)phenyl]methyl]-4-hydroxy-1-phenylbutan-2-yl]-4-(4-methylphenyl)benzamide?
N-[3-[[3-(1-aminoethenyl)phenyl]methyl]-4-hydroxy-1-phenylbutan-2-yl]-4-(4-aminophenyl)benzamide;N-[3-[[3-(1-aminoethenyl)phenyl]methyl]-4-hydroxy-1-phenylbutan-2-yl]-4-(2,4-diaminophenyl)benzamide;N-[3-[[3-(1-aminoethenyl)phenyl]methyl]-4-hydroxy-1-phenylbutan-2-yl]-4-(4-methylphenyl)benzamide has a molecular weight of 1488.93 g/mol, XLogP of 15.48, 30 rotatable bonds, 12 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[3-(1-aminoethenyl)phenyl]methyl]-4-hydroxy-1-phenylbutan-2-yl]-4-(4-aminophenyl)benzamide;N-[3-[[3-(1-aminoethenyl)phenyl]methyl]-4-hydroxy-1-phenylbutan-2-yl]-4-(2,4-diaminophenyl)benzamide;N-[3-[[3-(1-aminoethenyl)phenyl]methyl]-4-hydroxy-1-phenylbutan-2-yl]-4-(4-methylphenyl)benzamide is sourced from PubChem (CID 91054095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).