(2R)-2-[[(1R,2S,3S)-2,3-dimethylcyclohexyl]amino]-N-(4-ethylphenyl)propanamide

C19H30N2O — CID 11939445

IUPAC(2R)-2-[[(1R,2S,3S)-2,3-dimethylcyclohexyl]amino]-N-(4-ethylphenyl)propanamide
SMILESCCc1ccc(NC(=O)[C@@H](C)N[C@@H]2CCC[C@H](C)[C@@H]2C)cc1
InChIInChI=1S/C19H30N2O/c1-5-16-9-11-17(12-10-16)21-19(22)15(4)20-18-8-6-7-13(2)14(18)3/h9-15,18,20H,5-8H2,1-4H3,(H,21,22)/t13-,14-,15+,18+/m0/s1
InChIKeyGQDJFWBQZDHQCM-OIPACUDHSA-N
MW302.46 g/mol
LogP3.99
Rot. Bonds5

About (2R)-2-[[(1R,2S,3S)-2,3-dimethylcyclohexyl]amino]-N-(4-ethylphenyl)propanamide

(2R)-2-[[(1R,2S,3S)-2,3-dimethylcyclohexyl]amino]-N-(4-ethylphenyl)propanamide (PubChem CID 11939445) has the molecular formula C19H30N2O and a molecular weight of 302.46 g/mol. Its IUPAC name is (2R)-2-[[(1R,2S,3S)-2,3-dimethylcyclohexyl]amino]-N-(4-ethylphenyl)propanamide.

Molecular Properties

Compound Name(2R)-2-[[(1R,2S,3S)-2,3-dimethylcyclohexyl]amino]-N-(4-ethylphenyl)propanamide
PubChem CID11939445
Molecular FormulaC19H30N2O
Molecular Weight302.46 g/mol
Exact Mass302.24
IUPAC Name(2R)-2-[[(1R,2S,3S)-2,3-dimethylcyclohexyl]amino]-N-(4-ethylphenyl)propanamide
SMILESCCc1ccc(NC(=O)[C@@H](C)N[C@@H]2CCC[C@H](C)[C@@H]2C)cc1
InChIInChI=1S/C19H30N2O/c1-5-16-9-11-17(12-10-16)21-19(22)15(4)20-18-8-6-7-13(2)14(18)3/h9-15,18,20H,5-8H2,1-4H3,(H,21,22)/t13-,14-,15+,18+/m0/s1
InChIKeyGQDJFWBQZDHQCM-OIPACUDHSA-N
XLogP3.99
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.46
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-ethylphenyl)-2-[(2-methylcyclohexyl)amino]propanamide
CID 112768865
(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
2-[(2,3-dimethylcyclohexyl)amino]-N-(3-methylphenyl)propanamide
CID 73147099
(2S)-2-[[(1S,2S,3S)-2,3-dimethylcyclohexyl]amino]-N-(3-methylphenyl)propanamide
CID 11939515
(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
(2S)-N-[2-[(2R)-butan-2-yl]phenyl]-2-[[(1R,2S,3S)-2,3-dimethylcyclohexyl]amino]propanamide
CID 11923114
(2S)-2-[[(1R,2R,3R)-2,3-dimethylcyclohexyl]amino]-N-(2,3,4-trifluorophenyl)propanamide
CID 11939545
N-butyl-2-[(2,3-dimethylcyclohexyl)amino]propanamide
CID 43113278
2-[(2,3-dimethylcyclohexyl)amino]-N-prop-2-enylpropanamide
CID 43087479

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[(1R,2S,3S)-2,3-dimethylcyclohexyl]amino]-N-(4-ethylphenyl)propanamide?
The IUPAC name of (2R)-2-[[(1R,2S,3S)-2,3-dimethylcyclohexyl]amino]-N-(4-ethylphenyl)propanamide (CID 11939445) is (2R)-2-[[(1R,2S,3S)-2,3-dimethylcyclohexyl]amino]-N-(4-ethylphenyl)propanamide.
What is the SMILES notation for (2R)-2-[[(1R,2S,3S)-2,3-dimethylcyclohexyl]amino]-N-(4-ethylphenyl)propanamide?
The canonical SMILES for (2R)-2-[[(1R,2S,3S)-2,3-dimethylcyclohexyl]amino]-N-(4-ethylphenyl)propanamide is CCc1ccc(NC(=O)[C@@H](C)N[C@@H]2CCC[C@H](C)[C@@H]2C)cc1.
What is the InChIKey of (2R)-2-[[(1R,2S,3S)-2,3-dimethylcyclohexyl]amino]-N-(4-ethylphenyl)propanamide?
The InChIKey is GQDJFWBQZDHQCM-OIPACUDHSA-N. The full InChI is InChI=1S/C19H30N2O/c1-5-16-9-11-17(12-10-16)21-19(22)15(4)20-18-8-6-7-13(2)14(18)3/h9-15,18,20H,5-8H2,1-4H3,(H,21,22)/t13-,14-,15+,18+/m0/s1.
What are the key properties of (2R)-2-[[(1R,2S,3S)-2,3-dimethylcyclohexyl]amino]-N-(4-ethylphenyl)propanamide?
(2R)-2-[[(1R,2S,3S)-2,3-dimethylcyclohexyl]amino]-N-(4-ethylphenyl)propanamide has a molecular weight of 302.46 g/mol, XLogP of 3.99, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[(1R,2S,3S)-2,3-dimethylcyclohexyl]amino]-N-(4-ethylphenyl)propanamide is sourced from PubChem (CID 11939445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).