2-amino-N-[(3-methylcyclohexyl)-(2-methylphenyl)methyl]acetamide

C17H26N2O — CID 119323096

IUPAC2-amino-N-[(3-methylcyclohexyl)-(2-methylphenyl)methyl]acetamide
SMILESCc1ccccc1C(NC(=O)CN)C1CCCC(C)C1
InChIInChI=1S/C17H26N2O/c1-12-6-5-8-14(10-12)17(19-16(20)11-18)15-9-4-3-7-13(15)2/h3-4,7,9,12,14,17H,5-6,8,10-11,18H2,1-2H3,(H,19,20)
InChIKeyMUNNBBIPPSJSMX-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.94
Rot. Bonds4

About 2-amino-N-[(3-methylcyclohexyl)-(2-methylphenyl)methyl]acetamide

2-amino-N-[(3-methylcyclohexyl)-(2-methylphenyl)methyl]acetamide (PubChem CID 119323096) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 2-amino-N-[(3-methylcyclohexyl)-(2-methylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-amino-N-[(3-methylcyclohexyl)-(2-methylphenyl)methyl]acetamide
PubChem CID119323096
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name2-amino-N-[(3-methylcyclohexyl)-(2-methylphenyl)methyl]acetamide
SMILESCc1ccccc1C(NC(=O)CN)C1CCCC(C)C1
InChIInChI=1S/C17H26N2O/c1-12-6-5-8-14(10-12)17(19-16(20)11-18)15-9-4-3-7-13(15)2/h3-4,7,9,12,14,17H,5-6,8,10-11,18H2,1-2H3,(H,19,20)
InChIKeyMUNNBBIPPSJSMX-UHFFFAOYSA-N
XLogP2.94
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 ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-[(3-methylcyclohexyl)-(2-methylphenyl)methyl]propanamide
CID 119323094
(2R)-2-amino-N-[(3-methylcyclohexyl)-(2-methylphenyl)methyl]propanamide
CID 119323100
(2S)-2-amino-N-[(3-methylcyclohexyl)-(2-methylphenyl)methyl]propanamide;hydrochloride
CID 119323091
N-(3-acetamido-2-methylphenyl)-N'-[(S)-[(1S,3S)-3-methylcyclohexyl]-(2-methylphenyl)methyl]oxamide
CID 97007484
N-(2-tert-butylpyrimidin-5-yl)-N'-[(R)-[(1R,3S)-3-methylcyclohexyl]-(2-methylphenyl)methyl]oxamide
CID 97007489
N'-[(R)-[(1S,3R)-3-methylcyclohexyl]-(2-methylphenyl)methyl]-N-(1-methyl-2-oxo-3-pyridinyl)oxamide
CID 100863761
[(2-fluoro-3-methylphenyl)-(3-methylcyclohexyl)methyl]hydrazine
CID 105313617
[(2-bromo-3-methylphenyl)-(3-methylcyclohexyl)methyl]hydrazine
CID 107986073
[(3-ethylcyclohexyl)-(2-methylphenyl)methyl]hydrazine
CID 105200437
2-cyclobutyl-2-(2-methylphenyl)acetic acid
CID 83687024
[(2-ethoxyphenyl)-(3-methylcyclohexyl)methyl]hydrazine
CID 105210206
3-methyl-N-[1-(2-methylphenyl)ethyl]cyclohexan-1-amine
CID 43081561

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(3-methylcyclohexyl)-(2-methylphenyl)methyl]acetamide?
The IUPAC name of 2-amino-N-[(3-methylcyclohexyl)-(2-methylphenyl)methyl]acetamide (CID 119323096) is 2-amino-N-[(3-methylcyclohexyl)-(2-methylphenyl)methyl]acetamide.
What is the SMILES notation for 2-amino-N-[(3-methylcyclohexyl)-(2-methylphenyl)methyl]acetamide?
The canonical SMILES for 2-amino-N-[(3-methylcyclohexyl)-(2-methylphenyl)methyl]acetamide is Cc1ccccc1C(NC(=O)CN)C1CCCC(C)C1.
What is the InChIKey of 2-amino-N-[(3-methylcyclohexyl)-(2-methylphenyl)methyl]acetamide?
The InChIKey is MUNNBBIPPSJSMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-12-6-5-8-14(10-12)17(19-16(20)11-18)15-9-4-3-7-13(15)2/h3-4,7,9,12,14,17H,5-6,8,10-11,18H2,1-2H3,(H,19,20).
What are the key properties of 2-amino-N-[(3-methylcyclohexyl)-(2-methylphenyl)methyl]acetamide?
2-amino-N-[(3-methylcyclohexyl)-(2-methylphenyl)methyl]acetamide has a molecular weight of 274.41 g/mol, XLogP of 2.94, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(3-methylcyclohexyl)-(2-methylphenyl)methyl]acetamide is sourced from PubChem (CID 119323096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).