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

C18H28N2O — CID 119323094

IUPAC3-amino-N-[(3-methylcyclohexyl)-(2-methylphenyl)methyl]propanamide
SMILESCc1ccccc1C(NC(=O)CCN)C1CCCC(C)C1
InChIInChI=1S/C18H28N2O/c1-13-6-5-8-15(12-13)18(20-17(21)10-11-19)16-9-4-3-7-14(16)2/h3-4,7,9,13,15,18H,5-6,8,10-12,19H2,1-2H3,(H,20,21)
InChIKeyWZXUKRRGQDEJBS-UHFFFAOYSA-N
MW288.44 g/mol
LogP3.33
Rot. Bonds5

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

3-amino-N-[(3-methylcyclohexyl)-(2-methylphenyl)methyl]propanamide (PubChem CID 119323094) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is 3-amino-N-[(3-methylcyclohexyl)-(2-methylphenyl)methyl]propanamide.

Molecular Properties

Compound Name3-amino-N-[(3-methylcyclohexyl)-(2-methylphenyl)methyl]propanamide
PubChem CID119323094
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC Name3-amino-N-[(3-methylcyclohexyl)-(2-methylphenyl)methyl]propanamide
SMILESCc1ccccc1C(NC(=O)CCN)C1CCCC(C)C1
InChIInChI=1S/C18H28N2O/c1-13-6-5-8-15(12-13)18(20-17(21)10-11-19)16-9-4-3-7-14(16)2/h3-4,7,9,13,15,18H,5-6,8,10-12,19H2,1-2H3,(H,20,21)
InChIKeyWZXUKRRGQDEJBS-UHFFFAOYSA-N
XLogP3.33
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-[(3-methylcyclohexyl)-(2-methylphenyl)methyl]acetamide
CID 119323096
(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
3-amino-N-[(1S)-1-(2-methylphenyl)ethyl]propanamide
CID 81380300
[(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
(2S,5R)-5-(aminomethyl)-N-[cyclopropyl-(2-methylphenyl)methyl]oxolane-2-carboxamide
CID 120793016
[(2-ethoxyphenyl)-(3-methylcyclohexyl)methyl]hydrazine
CID 105210206

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(3-methylcyclohexyl)-(2-methylphenyl)methyl]propanamide?
The IUPAC name of 3-amino-N-[(3-methylcyclohexyl)-(2-methylphenyl)methyl]propanamide (CID 119323094) is 3-amino-N-[(3-methylcyclohexyl)-(2-methylphenyl)methyl]propanamide.
What is the SMILES notation for 3-amino-N-[(3-methylcyclohexyl)-(2-methylphenyl)methyl]propanamide?
The canonical SMILES for 3-amino-N-[(3-methylcyclohexyl)-(2-methylphenyl)methyl]propanamide is Cc1ccccc1C(NC(=O)CCN)C1CCCC(C)C1.
What is the InChIKey of 3-amino-N-[(3-methylcyclohexyl)-(2-methylphenyl)methyl]propanamide?
The InChIKey is WZXUKRRGQDEJBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-13-6-5-8-15(12-13)18(20-17(21)10-11-19)16-9-4-3-7-14(16)2/h3-4,7,9,13,15,18H,5-6,8,10-12,19H2,1-2H3,(H,20,21).
What are the key properties of 3-amino-N-[(3-methylcyclohexyl)-(2-methylphenyl)methyl]propanamide?
3-amino-N-[(3-methylcyclohexyl)-(2-methylphenyl)methyl]propanamide has a molecular weight of 288.44 g/mol, XLogP of 3.33, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(3-methylcyclohexyl)-(2-methylphenyl)methyl]propanamide is sourced from PubChem (CID 119323094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).