N-cyclopropyl-4-[[methyl-[2-[(4-phenylbenzoyl)amino]acetyl]amino]methyl]benzamide

C27H27N3O3 — CID 33360987

IUPACN-cyclopropyl-4-[[methyl-[2-[(4-phenylbenzoyl)amino]acetyl]amino]methyl]benzamide
SMILESCN(Cc1ccc(C(=O)NC2CC2)cc1)C(=O)CNC(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C27H27N3O3/c1-30(18-19-7-9-23(10-8-19)27(33)29-24-15-16-24)25(31)17-28-26(32)22-13-11-21(12-14-22)20-5-3-2-4-6-20/h2-14,24H,15-18H2,1H3,(H,28,32)(H,29,33)
InChIKeyXITSZHHNGQJXBM-UHFFFAOYSA-N
MW441.53 g/mol
LogP3.63
Rot. Bonds8

About N-cyclopropyl-4-[[methyl-[2-[(4-phenylbenzoyl)amino]acetyl]amino]methyl]benzamide

N-cyclopropyl-4-[[methyl-[2-[(4-phenylbenzoyl)amino]acetyl]amino]methyl]benzamide (PubChem CID 33360987) has the molecular formula C27H27N3O3 and a molecular weight of 441.53 g/mol. Its IUPAC name is N-cyclopropyl-4-[[methyl-[2-[(4-phenylbenzoyl)amino]acetyl]amino]methyl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[[methyl-[2-[(4-phenylbenzoyl)amino]acetyl]amino]methyl]benzamide
PubChem CID33360987
Molecular FormulaC27H27N3O3
Molecular Weight441.53 g/mol
Exact Mass441.21
IUPAC NameN-cyclopropyl-4-[[methyl-[2-[(4-phenylbenzoyl)amino]acetyl]amino]methyl]benzamide
SMILESCN(Cc1ccc(C(=O)NC2CC2)cc1)C(=O)CNC(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C27H27N3O3/c1-30(18-19-7-9-23(10-8-19)27(33)29-24-15-16-24)25(31)17-28-26(32)22-13-11-21(12-14-22)20-5-3-2-4-6-20/h2-14,24H,15-18H2,1H3,(H,28,32)(H,29,33)
InChIKeyXITSZHHNGQJXBM-UHFFFAOYSA-N
XLogP3.63
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.53
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-4-[[[(2R)-2-hydroxy-2-phenylacetyl]-methylamino]methyl]benzamide
CID 86781611
N-[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-4-phenylbenzamide
CID 38562903
N-cyclopropyl-4-[[methyl(3-thiophen-3-ylpropanoyl)amino]methyl]benzamide
CID 38397536
4-[[benzenesulfonyl(methyl)amino]methyl]-N-cyclopropylbenzamide
CID 95933789
N-[2-(cyclopentylamino)-2-oxoethyl]-4-phenylbenzamide
CID 18129640
N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-N,2,3-trimethylbenzamide
CID 38398694
N-benzyl-3-[4-(cyclopropylcarbamoyl)phenyl]benzamide
CID 117087146
4-[[1-[benzyl(methyl)amino]-1-oxopropan-2-yl]amino]-N-cyclopropylbenzamide
CID 55511124
2-chloro-N-methyl-N-[(4-phenylphenyl)methyl]acetamide
CID 166403235
4-benzyl-N-cyclopropylbenzamide
CID 45086871
N-[2-[benzyl(methyl)amino]-2-oxoethyl]-3,4-dichlorobenzamide
CID 27666006
4-[(dimethylamino)methyl]-N-(4-hydroxycyclohexyl)benzamide
CID 43393996

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[[methyl-[2-[(4-phenylbenzoyl)amino]acetyl]amino]methyl]benzamide?
The IUPAC name of N-cyclopropyl-4-[[methyl-[2-[(4-phenylbenzoyl)amino]acetyl]amino]methyl]benzamide (CID 33360987) is N-cyclopropyl-4-[[methyl-[2-[(4-phenylbenzoyl)amino]acetyl]amino]methyl]benzamide.
What is the SMILES notation for N-cyclopropyl-4-[[methyl-[2-[(4-phenylbenzoyl)amino]acetyl]amino]methyl]benzamide?
The canonical SMILES for N-cyclopropyl-4-[[methyl-[2-[(4-phenylbenzoyl)amino]acetyl]amino]methyl]benzamide is CN(Cc1ccc(C(=O)NC2CC2)cc1)C(=O)CNC(=O)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-cyclopropyl-4-[[methyl-[2-[(4-phenylbenzoyl)amino]acetyl]amino]methyl]benzamide?
The InChIKey is XITSZHHNGQJXBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N3O3/c1-30(18-19-7-9-23(10-8-19)27(33)29-24-15-16-24)25(31)17-28-26(32)22-13-11-21(12-14-22)20-5-3-2-4-6-20/h2-14,24H,15-18H2,1H3,(H,28,32)(H,29,33).
What are the key properties of N-cyclopropyl-4-[[methyl-[2-[(4-phenylbenzoyl)amino]acetyl]amino]methyl]benzamide?
N-cyclopropyl-4-[[methyl-[2-[(4-phenylbenzoyl)amino]acetyl]amino]methyl]benzamide has a molecular weight of 441.53 g/mol, XLogP of 3.63, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[[methyl-[2-[(4-phenylbenzoyl)amino]acetyl]amino]methyl]benzamide is sourced from PubChem (CID 33360987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).