2-(1-aminocyclohexyl)-N-[2-(3-methylphenyl)ethyl]acetamide

C17H26N2O — CID 64679676

IUPAC2-(1-aminocyclohexyl)-N-[2-(3-methylphenyl)ethyl]acetamide
SMILESCc1cccc(CCNC(=O)CC2(N)CCCCC2)c1
InChIInChI=1S/C17H26N2O/c1-14-6-5-7-15(12-14)8-11-19-16(20)13-17(18)9-3-2-4-10-17/h5-7,12H,2-4,8-11,13,18H2,1H3,(H,19,20)
InChIKeyLFDNNHINTDGYTR-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.71
Rot. Bonds5

About 2-(1-aminocyclohexyl)-N-[2-(3-methylphenyl)ethyl]acetamide

2-(1-aminocyclohexyl)-N-[2-(3-methylphenyl)ethyl]acetamide (PubChem CID 64679676) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 2-(1-aminocyclohexyl)-N-[2-(3-methylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(1-aminocyclohexyl)-N-[2-(3-methylphenyl)ethyl]acetamide
PubChem CID64679676
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name2-(1-aminocyclohexyl)-N-[2-(3-methylphenyl)ethyl]acetamide
SMILESCc1cccc(CCNC(=O)CC2(N)CCCCC2)c1
InChIInChI=1S/C17H26N2O/c1-14-6-5-7-15(12-14)8-11-19-16(20)13-17(18)9-3-2-4-10-17/h5-7,12H,2-4,8-11,13,18H2,1H3,(H,19,20)
InChIKeyLFDNNHINTDGYTR-UHFFFAOYSA-N
XLogP2.71
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-aminocyclobutyl)-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 103808810
1-carbamothioyl-N-[2-(3-methylphenyl)ethyl]cyclopentane-1-carboxamide
CID 62313942
4-[2-[[2-(1-aminocyclopentyl)acetyl]amino]ethyl]benzoic acid
CID 64677981
2-(1-aminocyclohexyl)-N-[(3-fluorophenyl)methyl]acetamide
CID 64683966
1-[2-(3-methylphenyl)ethylcarbamoyl]cyclobutane-1-carboxylic acid
CID 62314860
1-[2-(3-methylphenyl)ethylamino]cyclopentane-1-carboxylic acid
CID 114999787
4-(methylamino)-N-[2-(3-methylphenyl)ethyl]butanamide;hydrochloride
CID 119745493
1-cyano-N-[2-(3-methylphenyl)ethyl]cyclobutane-1-carboxamide
CID 78994342
3-acetamido-N-[2-(3-methylphenyl)ethyl]propanamide
CID 110354308
2-(1-aminocyclopentyl)-N-[(3-chlorophenyl)methyl]acetamide
CID 64684380
1-[[2-(3-methylphenyl)ethylcarbamoylamino]methyl]cyclobutane-1-carboxylic acid
CID 115446754
2-chloro-N-[2-(3-methylphenyl)ethyl]propanamide
CID 62314292

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminocyclohexyl)-N-[2-(3-methylphenyl)ethyl]acetamide?
The IUPAC name of 2-(1-aminocyclohexyl)-N-[2-(3-methylphenyl)ethyl]acetamide (CID 64679676) is 2-(1-aminocyclohexyl)-N-[2-(3-methylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(1-aminocyclohexyl)-N-[2-(3-methylphenyl)ethyl]acetamide?
The canonical SMILES for 2-(1-aminocyclohexyl)-N-[2-(3-methylphenyl)ethyl]acetamide is Cc1cccc(CCNC(=O)CC2(N)CCCCC2)c1.
What is the InChIKey of 2-(1-aminocyclohexyl)-N-[2-(3-methylphenyl)ethyl]acetamide?
The InChIKey is LFDNNHINTDGYTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-14-6-5-7-15(12-14)8-11-19-16(20)13-17(18)9-3-2-4-10-17/h5-7,12H,2-4,8-11,13,18H2,1H3,(H,19,20).
What are the key properties of 2-(1-aminocyclohexyl)-N-[2-(3-methylphenyl)ethyl]acetamide?
2-(1-aminocyclohexyl)-N-[2-(3-methylphenyl)ethyl]acetamide has a molecular weight of 274.41 g/mol, XLogP of 2.71, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminocyclohexyl)-N-[2-(3-methylphenyl)ethyl]acetamide is sourced from PubChem (CID 64679676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).