2-[(2-methylcyclohexyl)carbamoylamino]-N-(2-phenylethyl)acetamide

C18H27N3O2 — CID 134003762

IUPAC2-[(2-methylcyclohexyl)carbamoylamino]-N-(2-phenylethyl)acetamide
SMILESCC1CCCCC1NC(=O)NCC(=O)NCCc1ccccc1
InChIInChI=1S/C18H27N3O2/c1-14-7-5-6-10-16(14)21-18(23)20-13-17(22)19-12-11-15-8-3-2-4-9-15/h2-4,8-9,14,16H,5-7,10-13H2,1H3,(H,19,22)(H2,20,21,23)
InChIKeyMYXAESPNARSQNS-UHFFFAOYSA-N
MW317.43 g/mol
LogP2.22
Rot. Bonds6

About 2-[(2-methylcyclohexyl)carbamoylamino]-N-(2-phenylethyl)acetamide

2-[(2-methylcyclohexyl)carbamoylamino]-N-(2-phenylethyl)acetamide (PubChem CID 134003762) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is 2-[(2-methylcyclohexyl)carbamoylamino]-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound Name2-[(2-methylcyclohexyl)carbamoylamino]-N-(2-phenylethyl)acetamide
PubChem CID134003762
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC Name2-[(2-methylcyclohexyl)carbamoylamino]-N-(2-phenylethyl)acetamide
SMILESCC1CCCCC1NC(=O)NCC(=O)NCCc1ccccc1
InChIInChI=1S/C18H27N3O2/c1-14-7-5-6-10-16(14)21-18(23)20-13-17(22)19-12-11-15-8-3-2-4-9-15/h2-4,8-9,14,16H,5-7,10-13H2,1H3,(H,19,22)(H2,20,21,23)
InChIKeyMYXAESPNARSQNS-UHFFFAOYSA-N
XLogP2.22
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 52.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[[(1R,2R)-2-methylcyclopentyl]carbamoylamino]ethyl]-2-phenylacetamide
CID 95339721
1-(2-methylcyclopentyl)-3-[2-(4-methylphenyl)ethyl]urea
CID 86962509
N-(2-methylcyclohexyl)-3-[(2-phenylacetyl)amino]propanamide
CID 24593173
3-methyl-N-[2-(2-phenylethylcarbamoylamino)cyclohexyl]but-2-enamide
CID 23850327
N'-[(1S,2R)-2-methylcyclohexyl]-N-(3-phenylpropyl)oxamide
CID 125145050
N-(2-phenylethyl)-2-[[(5S)-2,3,4,5-tetrahydro-1-benzoxepin-5-yl]carbamoylamino]acetamide
CID 52532633
(2R)-2-methyl-N-(2-phenylethyl)cyclohexan-1-amine
CID 70947263
(2S)-2-[[(1R,2R)-2-methylcyclohexyl]carbamoylamino]-3-phenylpropanoic acid
CID 943588
N-[2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxoethyl]furan-2-carboxamide
CID 9404333
1-(3-methylcyclohexyl)-3-(2-phenylethyl)urea
CID 47186131
2-[(4-methylphenyl)methylcarbamoylamino]-N-(2-phenylethyl)acetamide
CID 51530628
1-benzyl-1-methyl-3-(2-methylcyclohexyl)urea
CID 51111526

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylcyclohexyl)carbamoylamino]-N-(2-phenylethyl)acetamide?
The IUPAC name of 2-[(2-methylcyclohexyl)carbamoylamino]-N-(2-phenylethyl)acetamide (CID 134003762) is 2-[(2-methylcyclohexyl)carbamoylamino]-N-(2-phenylethyl)acetamide.
What is the SMILES notation for 2-[(2-methylcyclohexyl)carbamoylamino]-N-(2-phenylethyl)acetamide?
The canonical SMILES for 2-[(2-methylcyclohexyl)carbamoylamino]-N-(2-phenylethyl)acetamide is CC1CCCCC1NC(=O)NCC(=O)NCCc1ccccc1.
What is the InChIKey of 2-[(2-methylcyclohexyl)carbamoylamino]-N-(2-phenylethyl)acetamide?
The InChIKey is MYXAESPNARSQNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-14-7-5-6-10-16(14)21-18(23)20-13-17(22)19-12-11-15-8-3-2-4-9-15/h2-4,8-9,14,16H,5-7,10-13H2,1H3,(H,19,22)(H2,20,21,23).
What are the key properties of 2-[(2-methylcyclohexyl)carbamoylamino]-N-(2-phenylethyl)acetamide?
2-[(2-methylcyclohexyl)carbamoylamino]-N-(2-phenylethyl)acetamide has a molecular weight of 317.43 g/mol, XLogP of 2.22, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylcyclohexyl)carbamoylamino]-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 134003762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).