N-[(2-aminocyclohexyl)methyl]-2-(3,4-dimethylphenyl)acetamide

C17H26N2O — CID 64929808

IUPACN-[(2-aminocyclohexyl)methyl]-2-(3,4-dimethylphenyl)acetamide
SMILESCc1ccc(CC(=O)NCC2CCCCC2N)cc1C
InChIInChI=1S/C17H26N2O/c1-12-7-8-14(9-13(12)2)10-17(20)19-11-15-5-3-4-6-16(15)18/h7-9,15-16H,3-6,10-11,18H2,1-2H3,(H,19,20)
InChIKeyNXDCVOMWSALOFN-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.48
Rot. Bonds4

About N-[(2-aminocyclohexyl)methyl]-2-(3,4-dimethylphenyl)acetamide

N-[(2-aminocyclohexyl)methyl]-2-(3,4-dimethylphenyl)acetamide (PubChem CID 64929808) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is N-[(2-aminocyclohexyl)methyl]-2-(3,4-dimethylphenyl)acetamide.

Molecular Properties

Compound NameN-[(2-aminocyclohexyl)methyl]-2-(3,4-dimethylphenyl)acetamide
PubChem CID64929808
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC NameN-[(2-aminocyclohexyl)methyl]-2-(3,4-dimethylphenyl)acetamide
SMILESCc1ccc(CC(=O)NCC2CCCCC2N)cc1C
InChIInChI=1S/C17H26N2O/c1-12-7-8-14(9-13(12)2)10-17(20)19-11-15-5-3-4-6-16(15)18/h7-9,15-16H,3-6,10-11,18H2,1-2H3,(H,19,20)
InChIKeyNXDCVOMWSALOFN-UHFFFAOYSA-N
XLogP2.48
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1R,2R)-2-aminocyclohexyl]-2-(3,4-dimethylphenyl)acetamide
CID 94471268
N-[(4-chlorocyclohexyl)methyl]-2-(3,4-dimethylphenyl)acetamide
CID 106133406
N-(2-cyclopentylsulfanylethyl)-2-(3,4-dimethylphenyl)acetamide
CID 100660183
2-(3,4-dimethylphenyl)-N-(2-methylcyclohexyl)acetamide
CID 18157580
2-[[2-(3,4-dimethylphenyl)acetyl]amino]acetic acid
CID 60657051
N-[(2-aminocyclohexyl)methyl]-2-fluoro-5-methylbenzamide
CID 64929794
N-[[2-(chloromethyl)cyclohexyl]methyl]-2-(2,5-dimethylphenyl)acetamide
CID 114307113
N-(4-amino-4-sulfanylidenebutyl)-2-(3,4-dimethylphenyl)acetamide
CID 62667726
1-(cyclopentylamino)-3-(3,4-dimethylphenyl)propan-2-one
CID 116559120
N-(3-azabicyclo[3.1.0]hexan-6-yl)-2-(3,4-dimethylphenyl)acetamide
CID 62539474
trans-(1S,2R)-2-[[(3,4-dimethylbenzoyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 108732317
N-(2-aminocyclohexyl)-2-(3,4-dimethoxyphenyl)acetamide
CID 61037756

Frequently Asked Questions

What is the IUPAC name of N-[(2-aminocyclohexyl)methyl]-2-(3,4-dimethylphenyl)acetamide?
The IUPAC name of N-[(2-aminocyclohexyl)methyl]-2-(3,4-dimethylphenyl)acetamide (CID 64929808) is N-[(2-aminocyclohexyl)methyl]-2-(3,4-dimethylphenyl)acetamide.
What is the SMILES notation for N-[(2-aminocyclohexyl)methyl]-2-(3,4-dimethylphenyl)acetamide?
The canonical SMILES for N-[(2-aminocyclohexyl)methyl]-2-(3,4-dimethylphenyl)acetamide is Cc1ccc(CC(=O)NCC2CCCCC2N)cc1C.
What is the InChIKey of N-[(2-aminocyclohexyl)methyl]-2-(3,4-dimethylphenyl)acetamide?
The InChIKey is NXDCVOMWSALOFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-12-7-8-14(9-13(12)2)10-17(20)19-11-15-5-3-4-6-16(15)18/h7-9,15-16H,3-6,10-11,18H2,1-2H3,(H,19,20).
What are the key properties of N-[(2-aminocyclohexyl)methyl]-2-(3,4-dimethylphenyl)acetamide?
N-[(2-aminocyclohexyl)methyl]-2-(3,4-dimethylphenyl)acetamide has a molecular weight of 274.41 g/mol, XLogP of 2.48, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-aminocyclohexyl)methyl]-2-(3,4-dimethylphenyl)acetamide is sourced from PubChem (CID 64929808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).