phenyl N-[(5-benzamido-1,3,3-trimethylcyclohexyl)methyl]carbamate

C24H30N2O3 — CID 121431628

IUPACphenyl N-[(5-benzamido-1,3,3-trimethylcyclohexyl)methyl]carbamate
SMILESCC1(C)CC(NC(=O)c2ccccc2)CC(C)(CNC(=O)Oc2ccccc2)C1
InChIInChI=1S/C24H30N2O3/c1-23(2)14-19(26-21(27)18-10-6-4-7-11-18)15-24(3,16-23)17-25-22(28)29-20-12-8-5-9-13-20/h4-13,19H,14-17H2,1-3H3,(H,25,28)(H,26,27)
InChIKeyJEDFBNUXIWGDNE-UHFFFAOYSA-N
MW394.51 g/mol
LogP4.79
Rot. Bonds5

About phenyl N-[(5-benzamido-1,3,3-trimethylcyclohexyl)methyl]carbamate

phenyl N-[(5-benzamido-1,3,3-trimethylcyclohexyl)methyl]carbamate (PubChem CID 121431628) has the molecular formula C24H30N2O3 and a molecular weight of 394.51 g/mol. Its IUPAC name is phenyl N-[(5-benzamido-1,3,3-trimethylcyclohexyl)methyl]carbamate.

Molecular Properties

Compound Namephenyl N-[(5-benzamido-1,3,3-trimethylcyclohexyl)methyl]carbamate
PubChem CID121431628
Molecular FormulaC24H30N2O3
Molecular Weight394.51 g/mol
Exact Mass394.23
IUPAC Namephenyl N-[(5-benzamido-1,3,3-trimethylcyclohexyl)methyl]carbamate
SMILESCC1(C)CC(NC(=O)c2ccccc2)CC(C)(CNC(=O)Oc2ccccc2)C1
InChIInChI=1S/C24H30N2O3/c1-23(2)14-19(26-21(27)18-10-6-4-7-11-18)15-24(3,16-23)17-25-22(28)29-20-12-8-5-9-13-20/h4-13,19H,14-17H2,1-3H3,(H,25,28)(H,26,27)
InChIKeyJEDFBNUXIWGDNE-UHFFFAOYSA-N
XLogP4.79
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.51
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze phenyl N-[(5-benzamido-1,3,3-trimethylcyclohexyl)methyl]carbamate 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

naphthalen-2-yl N-[3,3,5-trimethyl-5-[(naphthalene-2-carbonylamino)methyl]cyclohexyl]carbamate
CID 67179801
3-fluoro-N-[[(1R,5S)-5-[(3-fluorobenzoyl)amino]-1,3,3-trimethylcyclohexyl]methyl]benzamide
CID 7427818
2-phenoxy-N-[[(1R,5R)-1,3,3-trimethyl-5-[(2-phenoxyacetyl)amino]cyclohexyl]methyl]acetamide
CID 42564040
O-phenyl N-[[1,3,3-trimethyl-5-(phenylsulfanylcarbonylamino)cyclohexyl]methyl]carbamothioate
CID 140658764
2-[[1,3,3-trimethyl-5-(2-phenoxyethoxycarbonylamino)cyclohexyl]methylcarbamoylamino]acetic acid
CID 118911933
4-[[3-(aminomethyl)-3,5,5-trimethylcyclohexyl]carbamoyl]benzoic acid
CID 121317332
2-[[5-[2-[[3-[(1-benzoyloxypropan-2-yloxycarbonylamino)methyl]-3,5,5-trimethylcyclohexyl]carbamoyloxy]propoxycarbonylamino]-1,3,3-trimethylcyclohexyl]methylcarbamoyloxy]propyl benzoate
CID 118585490
2-chloro-N-[[(1R,5S)-5-[(2-chlorobenzoyl)amino]-1,3,3-trimethylcyclohexyl]methyl]benzamide
CID 40738067
5-methyl-N-[[(1S,5R)-1,3,3-trimethyl-5-[(5-methylfuran-2-carbonyl)amino]cyclohexyl]methyl]furan-2-carboxamide
CID 40601347
N-[[(1R,5R)-1,3,3-trimethyl-5-(thiophene-2-carbonylamino)cyclohexyl]methyl]thiophene-2-carboxamide
CID 1009025
[3-[[(2,6-dimethylphenoxy)carbothioylamino]methyl]-3,5,5-trimethylcyclohexyl]carbamic acid
CID 118643317
N-[[5-[(3,4-dimethoxybenzoyl)amino]-1,3,3-trimethylcyclohexyl]methyl]-3,4-dimethoxybenzamide
CID 3996775

Frequently Asked Questions

What is the IUPAC name of phenyl N-[(5-benzamido-1,3,3-trimethylcyclohexyl)methyl]carbamate?
The IUPAC name of phenyl N-[(5-benzamido-1,3,3-trimethylcyclohexyl)methyl]carbamate (CID 121431628) is phenyl N-[(5-benzamido-1,3,3-trimethylcyclohexyl)methyl]carbamate.
What is the SMILES notation for phenyl N-[(5-benzamido-1,3,3-trimethylcyclohexyl)methyl]carbamate?
The canonical SMILES for phenyl N-[(5-benzamido-1,3,3-trimethylcyclohexyl)methyl]carbamate is CC1(C)CC(NC(=O)c2ccccc2)CC(C)(CNC(=O)Oc2ccccc2)C1.
What is the InChIKey of phenyl N-[(5-benzamido-1,3,3-trimethylcyclohexyl)methyl]carbamate?
The InChIKey is JEDFBNUXIWGDNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O3/c1-23(2)14-19(26-21(27)18-10-6-4-7-11-18)15-24(3,16-23)17-25-22(28)29-20-12-8-5-9-13-20/h4-13,19H,14-17H2,1-3H3,(H,25,28)(H,26,27).
What are the key properties of phenyl N-[(5-benzamido-1,3,3-trimethylcyclohexyl)methyl]carbamate?
phenyl N-[(5-benzamido-1,3,3-trimethylcyclohexyl)methyl]carbamate has a molecular weight of 394.51 g/mol, XLogP of 4.79, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-[(5-benzamido-1,3,3-trimethylcyclohexyl)methyl]carbamate is sourced from PubChem (CID 121431628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).