N-[(3-aminocyclohexyl)methyl]-2-(2,5-dimethylphenyl)acetamide

C17H26N2O — CID 106123913

IUPACN-[(3-aminocyclohexyl)methyl]-2-(2,5-dimethylphenyl)acetamide
SMILESCc1ccc(C)c(CC(=O)NCC2CCCC(N)C2)c1
InChIInChI=1S/C17H26N2O/c1-12-6-7-13(2)15(8-12)10-17(20)19-11-14-4-3-5-16(18)9-14/h6-8,14,16H,3-5,9-11,18H2,1-2H3,(H,19,20)
InChIKeyGGLPTJQQAWGNCT-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.48
Rot. Bonds4

About N-[(3-aminocyclohexyl)methyl]-2-(2,5-dimethylphenyl)acetamide

N-[(3-aminocyclohexyl)methyl]-2-(2,5-dimethylphenyl)acetamide (PubChem CID 106123913) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is N-[(3-aminocyclohexyl)methyl]-2-(2,5-dimethylphenyl)acetamide.

Molecular Properties

Compound NameN-[(3-aminocyclohexyl)methyl]-2-(2,5-dimethylphenyl)acetamide
PubChem CID106123913
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC NameN-[(3-aminocyclohexyl)methyl]-2-(2,5-dimethylphenyl)acetamide
SMILESCc1ccc(C)c(CC(=O)NCC2CCCC(N)C2)c1
InChIInChI=1S/C17H26N2O/c1-12-6-7-13(2)15(8-12)10-17(20)19-11-14-4-3-5-16(18)9-14/h6-8,14,16H,3-5,9-11,18H2,1-2H3,(H,19,20)
InChIKeyGGLPTJQQAWGNCT-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-[(3-aminocyclohexyl)methyl]-2-hydroxy-5-methylbenzamide
CID 106123350
N-[(3-aminocyclohexyl)methyl]-2,4,6-trimethylbenzamide
CID 106123345
N-[[(3S)-1-cyclopentylpyrrolidin-3-yl]methyl]-2-(2,5-dimethylphenyl)acetamide
CID 125164756
N-[[2-(chloromethyl)cyclohexyl]methyl]-2-(2,5-dimethylphenyl)acetamide
CID 114307113
2-(2,5-dimethylphenyl)-N-(2-piperidin-3-ylethyl)acetamide
CID 62538178
N-[(3-aminocyclohexyl)methyl]-5-methylfuran-2-carboxamide
CID 106123256
N-[(3-hydroxycyclohexyl)methyl]-2-(6-methyl-1H-indol-3-yl)acetamide
CID 111459680
trans-(1R,2R)-2-[[2-(2,5-dimethylphenyl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 95363924
N-[2-(aminomethyl)cyclopentyl]-2-(2,5-dimethylphenyl)acetamide;hydrochloride
CID 119604312
N-[(3-aminocyclohexyl)methyl]-3-hydroxy-2-methylbenzamide
CID 106123416
N-(2-cyclohexylsulfanylethyl)-2-(2,5-dimethylphenyl)acetamide
CID 46778333
N-[(3-aminocyclohexyl)methyl]-2-cyclohexylacetamide
CID 106123088

Frequently Asked Questions

What is the IUPAC name of N-[(3-aminocyclohexyl)methyl]-2-(2,5-dimethylphenyl)acetamide?
The IUPAC name of N-[(3-aminocyclohexyl)methyl]-2-(2,5-dimethylphenyl)acetamide (CID 106123913) is N-[(3-aminocyclohexyl)methyl]-2-(2,5-dimethylphenyl)acetamide.
What is the SMILES notation for N-[(3-aminocyclohexyl)methyl]-2-(2,5-dimethylphenyl)acetamide?
The canonical SMILES for N-[(3-aminocyclohexyl)methyl]-2-(2,5-dimethylphenyl)acetamide is Cc1ccc(C)c(CC(=O)NCC2CCCC(N)C2)c1.
What is the InChIKey of N-[(3-aminocyclohexyl)methyl]-2-(2,5-dimethylphenyl)acetamide?
The InChIKey is GGLPTJQQAWGNCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-12-6-7-13(2)15(8-12)10-17(20)19-11-14-4-3-5-16(18)9-14/h6-8,14,16H,3-5,9-11,18H2,1-2H3,(H,19,20).
What are the key properties of N-[(3-aminocyclohexyl)methyl]-2-(2,5-dimethylphenyl)acetamide?
N-[(3-aminocyclohexyl)methyl]-2-(2,5-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-[(3-aminocyclohexyl)methyl]-2-(2,5-dimethylphenyl)acetamide is sourced from PubChem (CID 106123913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).