N-methyl-4-[[2-oxo-2-[3-(3-phenylpropanoylamino)anilino]ethyl]amino]-N-phenylbenzamide

C31H30N4O3 — CID 54838477

IUPACN-methyl-4-[[2-oxo-2-[3-(3-phenylpropanoylamino)anilino]ethyl]amino]-N-phenylbenzamide
SMILESCN(C(=O)c1ccc(NCC(=O)Nc2cccc(NC(=O)CCc3ccccc3)c2)cc1)c1ccccc1
InChIInChI=1S/C31H30N4O3/c1-35(28-13-6-3-7-14-28)31(38)24-16-18-25(19-17-24)32-22-30(37)34-27-12-8-11-26(21-27)33-29(36)20-15-23-9-4-2-5-10-23/h2-14,16-19,21,32H,15,20,22H2,1H3,(H,33,36)(H,34,37)
InChIKeyXIYMIFXTDBCDLS-UHFFFAOYSA-N
MW506.61 g/mol
LogP5.59
Rot. Bonds10

About N-methyl-4-[[2-oxo-2-[3-(3-phenylpropanoylamino)anilino]ethyl]amino]-N-phenylbenzamide

N-methyl-4-[[2-oxo-2-[3-(3-phenylpropanoylamino)anilino]ethyl]amino]-N-phenylbenzamide (PubChem CID 54838477) has the molecular formula C31H30N4O3 and a molecular weight of 506.61 g/mol. Its IUPAC name is N-methyl-4-[[2-oxo-2-[3-(3-phenylpropanoylamino)anilino]ethyl]amino]-N-phenylbenzamide.

Molecular Properties

Compound NameN-methyl-4-[[2-oxo-2-[3-(3-phenylpropanoylamino)anilino]ethyl]amino]-N-phenylbenzamide
PubChem CID54838477
Molecular FormulaC31H30N4O3
Molecular Weight506.61 g/mol
Exact Mass506.23
IUPAC NameN-methyl-4-[[2-oxo-2-[3-(3-phenylpropanoylamino)anilino]ethyl]amino]-N-phenylbenzamide
SMILESCN(C(=O)c1ccc(NCC(=O)Nc2cccc(NC(=O)CCc3ccccc3)c2)cc1)c1ccccc1
InChIInChI=1S/C31H30N4O3/c1-35(28-13-6-3-7-14-28)31(38)24-16-18-25(19-17-24)32-22-30(37)34-27-12-8-11-26(21-27)33-29(36)20-15-23-9-4-2-5-10-23/h2-14,16-19,21,32H,15,20,22H2,1H3,(H,33,36)(H,34,37)
InChIKeyXIYMIFXTDBCDLS-UHFFFAOYSA-N
XLogP5.59
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.61
LogP ≤ 55.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[[2-(4-methylanilino)acetyl]amino]phenyl]-3-phenylpropanamide
CID 54814254
4-[[2-(3-methoxyanilino)-2-oxoethyl]amino]-N-methyl-N-phenylbenzamide
CID 54838445
N-methyl-4-[[2-(naphthalen-2-ylamino)-2-oxoethyl]amino]-N-phenylbenzamide
CID 54838200
N,N-dimethyl-3-[[2-oxo-2-[4-(3-phenylpropanoylamino)anilino]ethyl]amino]benzamide
CID 54840725
3-[[2-[4-[3-(dimethylamino)-3-oxopropyl]anilino]-2-oxoethyl]amino]-N-methyl-N-phenylbenzamide
CID 54838290
3-[[2-(3-acetamidoanilino)-2-oxoethyl]amino]-N-methyl-N-phenylbenzamide
CID 54837465
N,N-diethyl-4-[[2-oxo-2-[4-(3-phenylpropanoylamino)anilino]ethyl]amino]benzamide
CID 54834109
N-[4-[(2-anilinoacetyl)amino]phenyl]-3-phenylpropanamide
CID 54810342
N-[3-[[2-oxo-2-[4-(propanoylamino)anilino]ethyl]amino]phenyl]-3-phenylpropanamide
CID 54837505
3-[3-(4-aminophenyl)propanoylamino]-N-methyl-N-phenylbenzamide
CID 54795361
4-[[2-[3-[3-(dimethylamino)-3-oxopropyl]anilino]-2-oxoethyl]amino]-N-ethyl-N-phenylbenzamide
CID 54838274
4-[[2-(4-iodoanilino)-2-oxoethyl]amino]-N-methyl-N-phenylbenzamide
CID 54838604

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[[2-oxo-2-[3-(3-phenylpropanoylamino)anilino]ethyl]amino]-N-phenylbenzamide?
The IUPAC name of N-methyl-4-[[2-oxo-2-[3-(3-phenylpropanoylamino)anilino]ethyl]amino]-N-phenylbenzamide (CID 54838477) is N-methyl-4-[[2-oxo-2-[3-(3-phenylpropanoylamino)anilino]ethyl]amino]-N-phenylbenzamide.
What is the SMILES notation for N-methyl-4-[[2-oxo-2-[3-(3-phenylpropanoylamino)anilino]ethyl]amino]-N-phenylbenzamide?
The canonical SMILES for N-methyl-4-[[2-oxo-2-[3-(3-phenylpropanoylamino)anilino]ethyl]amino]-N-phenylbenzamide is CN(C(=O)c1ccc(NCC(=O)Nc2cccc(NC(=O)CCc3ccccc3)c2)cc1)c1ccccc1.
What is the InChIKey of N-methyl-4-[[2-oxo-2-[3-(3-phenylpropanoylamino)anilino]ethyl]amino]-N-phenylbenzamide?
The InChIKey is XIYMIFXTDBCDLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H30N4O3/c1-35(28-13-6-3-7-14-28)31(38)24-16-18-25(19-17-24)32-22-30(37)34-27-12-8-11-26(21-27)33-29(36)20-15-23-9-4-2-5-10-23/h2-14,16-19,21,32H,15,20,22H2,1H3,(H,33,36)(H,34,37).
What are the key properties of N-methyl-4-[[2-oxo-2-[3-(3-phenylpropanoylamino)anilino]ethyl]amino]-N-phenylbenzamide?
N-methyl-4-[[2-oxo-2-[3-(3-phenylpropanoylamino)anilino]ethyl]amino]-N-phenylbenzamide has a molecular weight of 506.61 g/mol, XLogP of 5.59, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[[2-oxo-2-[3-(3-phenylpropanoylamino)anilino]ethyl]amino]-N-phenylbenzamide is sourced from PubChem (CID 54838477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).