3-propan-2-yloxy-N-[4-[[4-[(3-propan-2-yloxybenzoyl)amino]phenyl]methyl]phenyl]benzamide

C33H34N2O4 — CID 17142916

IUPAC3-propan-2-yloxy-N-[4-[[4-[(3-propan-2-yloxybenzoyl)amino]phenyl]methyl]phenyl]benzamide
SMILESCC(C)Oc1cccc(C(=O)Nc2ccc(Cc3ccc(NC(=O)c4cccc(OC(C)C)c4)cc3)cc2)c1
InChIInChI=1S/C33H34N2O4/c1-22(2)38-30-9-5-7-26(20-30)32(36)34-28-15-11-24(12-16-28)19-25-13-17-29(18-14-25)35-33(37)27-8-6-10-31(21-27)39-23(3)4/h5-18,20-23H,19H2,1-4H3,(H,34,36)(H,35,37)
InChIKeyOYIJDAJLZWPDTM-UHFFFAOYSA-N
MW522.65 g/mol
LogP7.36
Rot. Bonds10

About 3-propan-2-yloxy-N-[4-[[4-[(3-propan-2-yloxybenzoyl)amino]phenyl]methyl]phenyl]benzamide

3-propan-2-yloxy-N-[4-[[4-[(3-propan-2-yloxybenzoyl)amino]phenyl]methyl]phenyl]benzamide (PubChem CID 17142916) has the molecular formula C33H34N2O4 and a molecular weight of 522.65 g/mol. Its IUPAC name is 3-propan-2-yloxy-N-[4-[[4-[(3-propan-2-yloxybenzoyl)amino]phenyl]methyl]phenyl]benzamide.

Molecular Properties

Compound Name3-propan-2-yloxy-N-[4-[[4-[(3-propan-2-yloxybenzoyl)amino]phenyl]methyl]phenyl]benzamide
PubChem CID17142916
Molecular FormulaC33H34N2O4
Molecular Weight522.65 g/mol
Exact Mass522.25
IUPAC Name3-propan-2-yloxy-N-[4-[[4-[(3-propan-2-yloxybenzoyl)amino]phenyl]methyl]phenyl]benzamide
SMILESCC(C)Oc1cccc(C(=O)Nc2ccc(Cc3ccc(NC(=O)c4cccc(OC(C)C)c4)cc3)cc2)c1
InChIInChI=1S/C33H34N2O4/c1-22(2)38-30-9-5-7-26(20-30)32(36)34-28-15-11-24(12-16-28)19-25-13-17-29(18-14-25)35-33(37)27-8-6-10-31(21-27)39-23(3)4/h5-18,20-23H,19H2,1-4H3,(H,34,36)(H,35,37)
InChIKeyOYIJDAJLZWPDTM-UHFFFAOYSA-N
XLogP7.36
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.65
LogP ≤ 57.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-propan-2-yloxy-N-[4-[[4-[(3-propan-2-yloxybenzoyl)amino]phenyl]methyl]phenyl]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-(4-phenoxyphenyl)-3-propan-2-yloxybenzamide
CID 8779117
N-[4-(2-methylpropoxy)phenyl]-3-propan-2-yloxybenzamide
CID 17142469
3-propoxy-N-[4-[[4-[(3-propoxybenzoyl)amino]phenyl]methyl]phenyl]benzamide
CID 4960561
3-propan-2-yloxy-N-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]phenyl]benzamide
CID 19629323
N-(3,5-dichlorophenyl)-3-propan-2-yloxybenzamide
CID 4318037
N-[4-(diethylsulfamoyl)phenyl]-3-propan-2-yloxybenzamide
CID 17142416
3-N-(4-fluorophenyl)-1-N-(4-propan-2-yloxyphenyl)benzene-1,3-dicarboxamide
CID 109057469
dimethyl 5-[(3-propan-2-yloxybenzoyl)amino]benzene-1,3-dicarboxylate
CID 1339052
N-(3-bromo-4-fluorophenyl)-3-propan-2-yloxybenzamide
CID 104779320
N-(3-amino-4-bromophenyl)-3-propan-2-yloxybenzamide
CID 79753661
3-methoxy-N-[4-(2-methylpropylamino)phenyl]benzamide
CID 112980344
N-propan-2-yl-3-propan-2-yloxybenzamide
CID 8779048

Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yloxy-N-[4-[[4-[(3-propan-2-yloxybenzoyl)amino]phenyl]methyl]phenyl]benzamide?
The IUPAC name of 3-propan-2-yloxy-N-[4-[[4-[(3-propan-2-yloxybenzoyl)amino]phenyl]methyl]phenyl]benzamide (CID 17142916) is 3-propan-2-yloxy-N-[4-[[4-[(3-propan-2-yloxybenzoyl)amino]phenyl]methyl]phenyl]benzamide.
What is the SMILES notation for 3-propan-2-yloxy-N-[4-[[4-[(3-propan-2-yloxybenzoyl)amino]phenyl]methyl]phenyl]benzamide?
The canonical SMILES for 3-propan-2-yloxy-N-[4-[[4-[(3-propan-2-yloxybenzoyl)amino]phenyl]methyl]phenyl]benzamide is CC(C)Oc1cccc(C(=O)Nc2ccc(Cc3ccc(NC(=O)c4cccc(OC(C)C)c4)cc3)cc2)c1.
What is the InChIKey of 3-propan-2-yloxy-N-[4-[[4-[(3-propan-2-yloxybenzoyl)amino]phenyl]methyl]phenyl]benzamide?
The InChIKey is OYIJDAJLZWPDTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H34N2O4/c1-22(2)38-30-9-5-7-26(20-30)32(36)34-28-15-11-24(12-16-28)19-25-13-17-29(18-14-25)35-33(37)27-8-6-10-31(21-27)39-23(3)4/h5-18,20-23H,19H2,1-4H3,(H,34,36)(H,35,37).
What are the key properties of 3-propan-2-yloxy-N-[4-[[4-[(3-propan-2-yloxybenzoyl)amino]phenyl]methyl]phenyl]benzamide?
3-propan-2-yloxy-N-[4-[[4-[(3-propan-2-yloxybenzoyl)amino]phenyl]methyl]phenyl]benzamide has a molecular weight of 522.65 g/mol, XLogP of 7.36, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yloxy-N-[4-[[4-[(3-propan-2-yloxybenzoyl)amino]phenyl]methyl]phenyl]benzamide is sourced from PubChem (CID 17142916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).