N-benzyl-N-[2-(cyclohexylamino)-1-(6-methylcyclohex-3-en-1-yl)-2-oxoethyl]benzamide

C29H36N2O2 — CID 166332777

IUPACN-benzyl-N-[2-(cyclohexylamino)-1-(6-methylcyclohex-3-en-1-yl)-2-oxoethyl]benzamide
SMILESCC1CC=CCC1C(C(=O)NC1CCCCC1)N(Cc1ccccc1)C(=O)c1ccccc1
InChIInChI=1S/C29H36N2O2/c1-22-13-11-12-20-26(22)27(28(32)30-25-18-9-4-10-19-25)31(21-23-14-5-2-6-15-23)29(33)24-16-7-3-8-17-24/h2-3,5-8,11-12,14-17,22,25-27H,4,9-10,13,18-21H2,1H3,(H,30,32)
InChIKeyPGECKKSDUQKDIB-UHFFFAOYSA-N
MW444.62 g/mol
LogP5.75
Rot. Bonds7

About N-benzyl-N-[2-(cyclohexylamino)-1-(6-methylcyclohex-3-en-1-yl)-2-oxoethyl]benzamide

N-benzyl-N-[2-(cyclohexylamino)-1-(6-methylcyclohex-3-en-1-yl)-2-oxoethyl]benzamide (PubChem CID 166332777) has the molecular formula C29H36N2O2 and a molecular weight of 444.62 g/mol. Its IUPAC name is N-benzyl-N-[2-(cyclohexylamino)-1-(6-methylcyclohex-3-en-1-yl)-2-oxoethyl]benzamide.

Molecular Properties

Compound NameN-benzyl-N-[2-(cyclohexylamino)-1-(6-methylcyclohex-3-en-1-yl)-2-oxoethyl]benzamide
PubChem CID166332777
Molecular FormulaC29H36N2O2
Molecular Weight444.62 g/mol
Exact Mass444.28
IUPAC NameN-benzyl-N-[2-(cyclohexylamino)-1-(6-methylcyclohex-3-en-1-yl)-2-oxoethyl]benzamide
SMILESCC1CC=CCC1C(C(=O)NC1CCCCC1)N(Cc1ccccc1)C(=O)c1ccccc1
InChIInChI=1S/C29H36N2O2/c1-22-13-11-12-20-26(22)27(28(32)30-25-18-9-4-10-19-25)31(21-23-14-5-2-6-15-23)29(33)24-16-7-3-8-17-24/h2-3,5-8,11-12,14-17,22,25-27H,4,9-10,13,18-21H2,1H3,(H,30,32)
InChIKeyPGECKKSDUQKDIB-UHFFFAOYSA-N
XLogP5.75
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.62
LogP ≤ 55.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-benzyl-N-[2-(cyclohexylamino)-1-(6-methylcyclohex-3-en-1-yl)-2-oxoethyl]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-benzyl-N-[(1S)-2-(tert-butylamino)-1-cyclohexyl-2-oxoethyl]benzamide
CID 22941487
N-benzyl-N-[2-(cyclohexylamino)-2-oxo-1-pyrazin-2-ylethyl]benzamide
CID 166332781
N-[(2R)-1-(cyclohexylamino)-3-methyl-1-oxobutan-2-yl]-N-propylbenzamide
CID 92982082
2-[benzyl-(2-oxo-2-thiophen-2-ylacetyl)amino]-N-cyclopentyl-3-oxobutanamide
CID 70698581
4-N-benzyl-1-N-cyclopentyl-4-N-ethylbenzene-1,4-dicarboxamide
CID 109044420
(2S)-2-[benzyl(butanoyl)amino]-N-cyclohexylbutanamide
CID 100528481
(2S)-2-[benzyl(3,3-diphenylpropanoyl)amino]-N-cyclohexylbutanamide
CID 100527162
(2S)-N-cyclohexyl-2-(dibenzylamino)-2-(4-methylphenyl)acetamide
CID 94233334
2-[benzyl-(2-phenylsulfanylacetyl)amino]-N-cyclohexylpropanamide
CID 132984702
(2R)-2-[benzyl(3-phenylpropanoyl)amino]-N-cyclohexyl-3-phenylpropanamide
CID 100571887
(2R)-N-cyclohexyl-2-[(3-methylphenyl)methyl-(2-phenylacetyl)amino]-3-phenylpropanamide
CID 100581156
(2S)-2-[benzyl-[2-(2-methylphenyl)acetyl]amino]-N-cyclohexylbutanamide
CID 100528650

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[2-(cyclohexylamino)-1-(6-methylcyclohex-3-en-1-yl)-2-oxoethyl]benzamide?
The IUPAC name of N-benzyl-N-[2-(cyclohexylamino)-1-(6-methylcyclohex-3-en-1-yl)-2-oxoethyl]benzamide (CID 166332777) is N-benzyl-N-[2-(cyclohexylamino)-1-(6-methylcyclohex-3-en-1-yl)-2-oxoethyl]benzamide.
What is the SMILES notation for N-benzyl-N-[2-(cyclohexylamino)-1-(6-methylcyclohex-3-en-1-yl)-2-oxoethyl]benzamide?
The canonical SMILES for N-benzyl-N-[2-(cyclohexylamino)-1-(6-methylcyclohex-3-en-1-yl)-2-oxoethyl]benzamide is CC1CC=CCC1C(C(=O)NC1CCCCC1)N(Cc1ccccc1)C(=O)c1ccccc1.
What is the InChIKey of N-benzyl-N-[2-(cyclohexylamino)-1-(6-methylcyclohex-3-en-1-yl)-2-oxoethyl]benzamide?
The InChIKey is PGECKKSDUQKDIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H36N2O2/c1-22-13-11-12-20-26(22)27(28(32)30-25-18-9-4-10-19-25)31(21-23-14-5-2-6-15-23)29(33)24-16-7-3-8-17-24/h2-3,5-8,11-12,14-17,22,25-27H,4,9-10,13,18-21H2,1H3,(H,30,32).
What are the key properties of N-benzyl-N-[2-(cyclohexylamino)-1-(6-methylcyclohex-3-en-1-yl)-2-oxoethyl]benzamide?
N-benzyl-N-[2-(cyclohexylamino)-1-(6-methylcyclohex-3-en-1-yl)-2-oxoethyl]benzamide has a molecular weight of 444.62 g/mol, XLogP of 5.75, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[2-(cyclohexylamino)-1-(6-methylcyclohex-3-en-1-yl)-2-oxoethyl]benzamide is sourced from PubChem (CID 166332777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).