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

C18H28N2O — CID 119323100

IUPAC(2R)-2-amino-N-[(3-methylcyclohexyl)-(2-methylphenyl)methyl]propanamide
SMILESCc1ccccc1C(NC(=O)[C@@H](C)N)C1CCCC(C)C1
InChIInChI=1S/C18H28N2O/c1-12-7-6-9-15(11-12)17(20-18(21)14(3)19)16-10-5-4-8-13(16)2/h4-5,8,10,12,14-15,17H,6-7,9,11,19H2,1-3H3,(H,20,21)/t12?,14-,15?,17?/m1/s1
InChIKeyFOTRFUYDDSBBKO-GEABQFQJSA-N
MW288.44 g/mol
LogP3.33
Rot. Bonds4

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

(2R)-2-amino-N-[(3-methylcyclohexyl)-(2-methylphenyl)methyl]propanamide (PubChem CID 119323100) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is (2R)-2-amino-N-[(3-methylcyclohexyl)-(2-methylphenyl)methyl]propanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-[(3-methylcyclohexyl)-(2-methylphenyl)methyl]propanamide
PubChem CID119323100
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC Name(2R)-2-amino-N-[(3-methylcyclohexyl)-(2-methylphenyl)methyl]propanamide
SMILESCc1ccccc1C(NC(=O)[C@@H](C)N)C1CCCC(C)C1
InChIInChI=1S/C18H28N2O/c1-12-7-6-9-15(11-12)17(20-18(21)14(3)19)16-10-5-4-8-13(16)2/h4-5,8,10,12,14-15,17H,6-7,9,11,19H2,1-3H3,(H,20,21)/t12?,14-,15?,17?/m1/s1
InChIKeyFOTRFUYDDSBBKO-GEABQFQJSA-N
XLogP3.33
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
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

(2S)-2-amino-N-[(3-methylcyclohexyl)-(2-methylphenyl)methyl]propanamide;hydrochloride
CID 119323091
2-amino-N-[(3-methylcyclohexyl)-(2-methylphenyl)methyl]acetamide
CID 119323096
3-amino-N-[(3-methylcyclohexyl)-(2-methylphenyl)methyl]propanamide
CID 119323094
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-methyl-N-[1-(2-methylphenyl)ethyl]cyclohexan-1-amine
CID 43081561
[2-(2-aminopropanoylamino)-2-phenylethyl] 3-methylcyclohexane-1-carboxylate
CID 145335708
(2S)-2-amino-N-[(4-chlorophenyl)-cyclobutylmethyl]propanamide
CID 119318612
cis-(1S,3R)-3-[[(1S)-1-(2-methylphenyl)ethyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 124552970

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[(3-methylcyclohexyl)-(2-methylphenyl)methyl]propanamide?
The IUPAC name of (2R)-2-amino-N-[(3-methylcyclohexyl)-(2-methylphenyl)methyl]propanamide (CID 119323100) is (2R)-2-amino-N-[(3-methylcyclohexyl)-(2-methylphenyl)methyl]propanamide.
What is the SMILES notation for (2R)-2-amino-N-[(3-methylcyclohexyl)-(2-methylphenyl)methyl]propanamide?
The canonical SMILES for (2R)-2-amino-N-[(3-methylcyclohexyl)-(2-methylphenyl)methyl]propanamide is Cc1ccccc1C(NC(=O)[C@@H](C)N)C1CCCC(C)C1.
What is the InChIKey of (2R)-2-amino-N-[(3-methylcyclohexyl)-(2-methylphenyl)methyl]propanamide?
The InChIKey is FOTRFUYDDSBBKO-GEABQFQJSA-N. The full InChI is InChI=1S/C18H28N2O/c1-12-7-6-9-15(11-12)17(20-18(21)14(3)19)16-10-5-4-8-13(16)2/h4-5,8,10,12,14-15,17H,6-7,9,11,19H2,1-3H3,(H,20,21)/t12?,14-,15?,17?/m1/s1.
What are the key properties of (2R)-2-amino-N-[(3-methylcyclohexyl)-(2-methylphenyl)methyl]propanamide?
(2R)-2-amino-N-[(3-methylcyclohexyl)-(2-methylphenyl)methyl]propanamide has a molecular weight of 288.44 g/mol, XLogP of 3.33, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[(3-methylcyclohexyl)-(2-methylphenyl)methyl]propanamide is sourced from PubChem (CID 119323100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).