N-(2-methylcyclohexyl)-3-[(2-phenylacetyl)amino]propanamide

C18H26N2O2 — CID 24593173

IUPACN-(2-methylcyclohexyl)-3-[(2-phenylacetyl)amino]propanamide
SMILESCC1CCCCC1NC(=O)CCNC(=O)Cc1ccccc1
InChIInChI=1S/C18H26N2O2/c1-14-7-5-6-10-16(14)20-17(21)11-12-19-18(22)13-15-8-3-2-4-9-15/h2-4,8-9,14,16H,5-7,10-13H2,1H3,(H,19,22)(H,20,21)
InChIKeyQWKOJBGZDUAAMX-UHFFFAOYSA-N
MW302.42 g/mol
LogP2.43
Rot. Bonds6

About N-(2-methylcyclohexyl)-3-[(2-phenylacetyl)amino]propanamide

N-(2-methylcyclohexyl)-3-[(2-phenylacetyl)amino]propanamide (PubChem CID 24593173) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is N-(2-methylcyclohexyl)-3-[(2-phenylacetyl)amino]propanamide.

Molecular Properties

Compound NameN-(2-methylcyclohexyl)-3-[(2-phenylacetyl)amino]propanamide
PubChem CID24593173
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC NameN-(2-methylcyclohexyl)-3-[(2-phenylacetyl)amino]propanamide
SMILESCC1CCCCC1NC(=O)CCNC(=O)Cc1ccccc1
InChIInChI=1S/C18H26N2O2/c1-14-7-5-6-10-16(14)20-17(21)11-12-19-18(22)13-15-8-3-2-4-9-15/h2-4,8-9,14,16H,5-7,10-13H2,1H3,(H,19,22)(H,20,21)
InChIKeyQWKOJBGZDUAAMX-UHFFFAOYSA-N
XLogP2.43
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[[(1R,2R)-2-methylcyclopentyl]carbamoylamino]ethyl]-2-phenylacetamide
CID 95339721
2-chloro-N-[3-[(2-methylcyclohexyl)amino]-3-oxopropyl]benzamide
CID 47004575
2-chloro-N-[3-[[(1S,2S)-2-methylcyclohexyl]amino]-3-oxopropyl]benzamide
CID 7976266
2-chloro-N-[3-[[(1R,2R)-2-methylcyclohexyl]amino]-3-oxopropyl]benzamide
CID 7976258
2-phenyl-N-[(1S,2S)-2-[(2-phenylacetyl)amino]cyclohexyl]acetamide
CID 1011315
4-tert-butyl-N-[3-[[(1S,2R)-2-methylcyclohexyl]amino]-3-oxopropyl]benzamide
CID 6938267
2-[(2-methylcyclohexyl)carbamoylamino]-N-(2-phenylethyl)acetamide
CID 134003762
3-(carbamoylamino)-N-(2-methylcyclohexyl)propanamide
CID 47116548
N-[1-[2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxoethyl]piperidin-4-yl]-2-phenylacetamide
CID 7411819
N-[[4-methyl-5-[2-[[(1R,2R)-2-methylcyclohexyl]amino]-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-2-phenylacetamide
CID 126177063
cis-(1R,3S)-3-[3-[(2-phenylacetyl)amino]propanoylamino]cyclopentane-1-carboxylic acid
CID 120678404
N-[3-[(2-methylcyclohexyl)amino]-3-oxopropyl]-1,3-benzodioxole-5-carboxamide
CID 4055032

Frequently Asked Questions

What is the IUPAC name of N-(2-methylcyclohexyl)-3-[(2-phenylacetyl)amino]propanamide?
The IUPAC name of N-(2-methylcyclohexyl)-3-[(2-phenylacetyl)amino]propanamide (CID 24593173) is N-(2-methylcyclohexyl)-3-[(2-phenylacetyl)amino]propanamide.
What is the SMILES notation for N-(2-methylcyclohexyl)-3-[(2-phenylacetyl)amino]propanamide?
The canonical SMILES for N-(2-methylcyclohexyl)-3-[(2-phenylacetyl)amino]propanamide is CC1CCCCC1NC(=O)CCNC(=O)Cc1ccccc1.
What is the InChIKey of N-(2-methylcyclohexyl)-3-[(2-phenylacetyl)amino]propanamide?
The InChIKey is QWKOJBGZDUAAMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-14-7-5-6-10-16(14)20-17(21)11-12-19-18(22)13-15-8-3-2-4-9-15/h2-4,8-9,14,16H,5-7,10-13H2,1H3,(H,19,22)(H,20,21).
What are the key properties of N-(2-methylcyclohexyl)-3-[(2-phenylacetyl)amino]propanamide?
N-(2-methylcyclohexyl)-3-[(2-phenylacetyl)amino]propanamide has a molecular weight of 302.42 g/mol, XLogP of 2.43, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylcyclohexyl)-3-[(2-phenylacetyl)amino]propanamide is sourced from PubChem (CID 24593173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).