(2S)-2-[[(1S,2S,3S)-2,3-dimethylcyclohexyl]amino]-N-(3-methylphenyl)propanamide

C18H28N2O — CID 11939515

IUPAC(2S)-2-[[(1S,2S,3S)-2,3-dimethylcyclohexyl]amino]-N-(3-methylphenyl)propanamide
SMILESCc1cccc(NC(=O)[C@H](C)N[C@H]2CCC[C@H](C)[C@@H]2C)c1
InChIInChI=1S/C18H28N2O/c1-12-7-5-9-16(11-12)20-18(21)15(4)19-17-10-6-8-13(2)14(17)3/h5,7,9,11,13-15,17,19H,6,8,10H2,1-4H3,(H,20,21)/t13-,14-,15-,17-/m0/s1
InChIKeyILGZIBHKLHRKKM-JKQORVJESA-N
MW288.44 g/mol
LogP3.74
Rot. Bonds4

About (2S)-2-[[(1S,2S,3S)-2,3-dimethylcyclohexyl]amino]-N-(3-methylphenyl)propanamide

(2S)-2-[[(1S,2S,3S)-2,3-dimethylcyclohexyl]amino]-N-(3-methylphenyl)propanamide (PubChem CID 11939515) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is (2S)-2-[[(1S,2S,3S)-2,3-dimethylcyclohexyl]amino]-N-(3-methylphenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-[[(1S,2S,3S)-2,3-dimethylcyclohexyl]amino]-N-(3-methylphenyl)propanamide
PubChem CID11939515
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC Name(2S)-2-[[(1S,2S,3S)-2,3-dimethylcyclohexyl]amino]-N-(3-methylphenyl)propanamide
SMILESCc1cccc(NC(=O)[C@H](C)N[C@H]2CCC[C@H](C)[C@@H]2C)c1
InChIInChI=1S/C18H28N2O/c1-12-7-5-9-16(11-12)20-18(21)15(4)19-17-10-6-8-13(2)14(17)3/h5,7,9,11,13-15,17,19H,6,8,10H2,1-4H3,(H,20,21)/t13-,14-,15-,17-/m0/s1
InChIKeyILGZIBHKLHRKKM-JKQORVJESA-N
XLogP3.74
TPSA41.13 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 ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2,3-dimethylcyclohexyl)amino]-N-(3-methylphenyl)propanamide
CID 73147099
(2S)-N-(4-acetamidophenyl)-2-[[(1S,2R,3R)-2,3-dimethylcyclohexyl]amino]propanamide
CID 11946761
(2S)-N-(4-acetamidophenyl)-2-[[(1S,2R,3S)-2,3-dimethylcyclohexyl]amino]propanamide
CID 11946763
4-[[(2S)-2-[[(1R,2R,3R)-2,3-dimethylcyclohexyl]amino]propanoyl]amino]benzamide
CID 11939553
(2S)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[(1S,2R,3S)-2,3-dimethylcyclohexyl]amino]propanamide
CID 11923388
(2S)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[(1S,2R,3R)-2,3-dimethylcyclohexyl]amino]propanamide
CID 11923386
(2R)-2-[[(1R,2S,3S)-2,3-dimethylcyclohexyl]amino]-N-(4-ethylphenyl)propanamide
CID 11939445
(2S)-N-[2-[(2R)-butan-2-yl]phenyl]-2-[[(1R,2S,3S)-2,3-dimethylcyclohexyl]amino]propanamide
CID 11923114
(2S)-2-(methylamino)-N-(3-methylphenyl)propanamide
CID 59393630
2,3-dimethyl-N-[4-(3-methylphenyl)butan-2-yl]cyclohexan-1-amine
CID 63420923
(2S)-2-[[(1R,2R,3R)-2,3-dimethylcyclohexyl]amino]-N-(2,3,4-trifluorophenyl)propanamide
CID 11939545
cis-(1R,2S)-2-[[(2S)-1-(3-bromoanilino)-1-oxopropan-2-yl]amino]-N-methylcyclopentane-1-carboxamide
CID 124873357

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[(1S,2S,3S)-2,3-dimethylcyclohexyl]amino]-N-(3-methylphenyl)propanamide?
The IUPAC name of (2S)-2-[[(1S,2S,3S)-2,3-dimethylcyclohexyl]amino]-N-(3-methylphenyl)propanamide (CID 11939515) is (2S)-2-[[(1S,2S,3S)-2,3-dimethylcyclohexyl]amino]-N-(3-methylphenyl)propanamide.
What is the SMILES notation for (2S)-2-[[(1S,2S,3S)-2,3-dimethylcyclohexyl]amino]-N-(3-methylphenyl)propanamide?
The canonical SMILES for (2S)-2-[[(1S,2S,3S)-2,3-dimethylcyclohexyl]amino]-N-(3-methylphenyl)propanamide is Cc1cccc(NC(=O)[C@H](C)N[C@H]2CCC[C@H](C)[C@@H]2C)c1.
What is the InChIKey of (2S)-2-[[(1S,2S,3S)-2,3-dimethylcyclohexyl]amino]-N-(3-methylphenyl)propanamide?
The InChIKey is ILGZIBHKLHRKKM-JKQORVJESA-N. The full InChI is InChI=1S/C18H28N2O/c1-12-7-5-9-16(11-12)20-18(21)15(4)19-17-10-6-8-13(2)14(17)3/h5,7,9,11,13-15,17,19H,6,8,10H2,1-4H3,(H,20,21)/t13-,14-,15-,17-/m0/s1.
What are the key properties of (2S)-2-[[(1S,2S,3S)-2,3-dimethylcyclohexyl]amino]-N-(3-methylphenyl)propanamide?
(2S)-2-[[(1S,2S,3S)-2,3-dimethylcyclohexyl]amino]-N-(3-methylphenyl)propanamide has a molecular weight of 288.44 g/mol, XLogP of 3.74, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[(1S,2S,3S)-2,3-dimethylcyclohexyl]amino]-N-(3-methylphenyl)propanamide is sourced from PubChem (CID 11939515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).