N-benzyl-N-[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-2-(phenylcarbamoylamino)benzamide

C35H36N4O3 — CID 102485048

IUPACN-benzyl-N-[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-2-(phenylcarbamoylamino)benzamide
SMILESO=C(Nc1ccccc1)Nc1ccccc1C(=O)N(Cc1ccccc1)C(C(=O)NC1CCCCC1)c1ccccc1
InChIInChI=1S/C35H36N4O3/c40-33(36-28-19-9-3-10-20-28)32(27-17-7-2-8-18-27)39(25-26-15-5-1-6-16-26)34(41)30-23-13-14-24-31(30)38-35(42)37-29-21-11-4-12-22-29/h1-2,4-8,11-18,21-24,28,32H,3,9-10,19-20,25H2,(H,36,40)(H2,37,38,42)
InChIKeyHCVPLYHEIRCDTP-UHFFFAOYSA-N
MW560.70 g/mol
LogP7.16
Rot. Bonds9

About N-benzyl-N-[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-2-(phenylcarbamoylamino)benzamide

N-benzyl-N-[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-2-(phenylcarbamoylamino)benzamide (PubChem CID 102485048) has the molecular formula C35H36N4O3 and a molecular weight of 560.70 g/mol. Its IUPAC name is N-benzyl-N-[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-2-(phenylcarbamoylamino)benzamide.

Molecular Properties

Compound NameN-benzyl-N-[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-2-(phenylcarbamoylamino)benzamide
PubChem CID102485048
Molecular FormulaC35H36N4O3
Molecular Weight560.70 g/mol
Exact Mass560.28
IUPAC NameN-benzyl-N-[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-2-(phenylcarbamoylamino)benzamide
SMILESO=C(Nc1ccccc1)Nc1ccccc1C(=O)N(Cc1ccccc1)C(C(=O)NC1CCCCC1)c1ccccc1
InChIInChI=1S/C35H36N4O3/c40-33(36-28-19-9-3-10-20-28)32(27-17-7-2-8-18-27)39(25-26-15-5-1-6-16-26)34(41)30-23-13-14-24-31(30)38-35(42)37-29-21-11-4-12-22-29/h1-2,4-8,11-18,21-24,28,32H,3,9-10,19-20,25H2,(H,36,40)(H2,37,38,42)
InChIKeyHCVPLYHEIRCDTP-UHFFFAOYSA-N
XLogP7.16
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500560.70
LogP ≤ 57.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-N-[(1R)-2-(cyclopentylamino)-2-oxo-1-phenylethyl]thiadiazole-4-carboxamide
CID 7434931
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2-[benzyl-(2-chloroacetyl)amino]-N-cyclohexyl-2-(4-fluorophenyl)acetamide
CID 4688312
N-benzyl-N-[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]but-2-ynamide
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(2S)-N-cyclohexyl-2-(dibenzylamino)-2-(4-methylphenyl)acetamide
CID 94233334
N-benzyl-N-[2-(cyclopentylamino)-1-[4-(dimethylamino)phenyl]-2-oxoethyl]furan-2-carboxamide
CID 3196449
[3-[1-[acetyl(benzyl)amino]-2-(cyclohexylamino)-2-oxoethyl]phenyl]boronic acid
CID 102127298
N-benzyl-N-[2-(cyclohexylamino)-2-oxo-1-pyrazin-2-ylethyl]benzamide
CID 166332781
N-[(1R)-2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-[(4-fluorophenyl)methyl]furan-2-carboxamide
CID 1441797
2-[benzyl-(2-chloroacetyl)amino]-N-cycloheptyl-2-(4-methoxyphenyl)acetamide
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(2S)-2-[benzyl(3,3-diphenylpropanoyl)amino]-N-cyclohexylbutanamide
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2-[[(2S)-2-benzylsulfanylpropanoyl]amino]-N-cyclohexylbenzamide
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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-2-(phenylcarbamoylamino)benzamide?
The IUPAC name of N-benzyl-N-[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-2-(phenylcarbamoylamino)benzamide (CID 102485048) is N-benzyl-N-[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-2-(phenylcarbamoylamino)benzamide.
What is the SMILES notation for N-benzyl-N-[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-2-(phenylcarbamoylamino)benzamide?
The canonical SMILES for N-benzyl-N-[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-2-(phenylcarbamoylamino)benzamide is O=C(Nc1ccccc1)Nc1ccccc1C(=O)N(Cc1ccccc1)C(C(=O)NC1CCCCC1)c1ccccc1.
What is the InChIKey of N-benzyl-N-[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-2-(phenylcarbamoylamino)benzamide?
The InChIKey is HCVPLYHEIRCDTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H36N4O3/c40-33(36-28-19-9-3-10-20-28)32(27-17-7-2-8-18-27)39(25-26-15-5-1-6-16-26)34(41)30-23-13-14-24-31(30)38-35(42)37-29-21-11-4-12-22-29/h1-2,4-8,11-18,21-24,28,32H,3,9-10,19-20,25H2,(H,36,40)(H2,37,38,42).
What are the key properties of N-benzyl-N-[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-2-(phenylcarbamoylamino)benzamide?
N-benzyl-N-[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-2-(phenylcarbamoylamino)benzamide has a molecular weight of 560.70 g/mol, XLogP of 7.16, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-2-(phenylcarbamoylamino)benzamide is sourced from PubChem (CID 102485048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).