(2S)-N-[2-[(2R)-butan-2-yl]phenyl]-2-[[(1R,2S,3S)-2,3-dimethylcyclohexyl]amino]propanamide

C21H34N2O — CID 11923114

IUPAC(2S)-N-[2-[(2R)-butan-2-yl]phenyl]-2-[[(1R,2S,3S)-2,3-dimethylcyclohexyl]amino]propanamide
SMILESCC[C@@H](C)c1ccccc1NC(=O)[C@H](C)N[C@@H]1CCC[C@H](C)[C@@H]1C
InChIInChI=1S/C21H34N2O/c1-6-14(2)18-11-7-8-12-20(18)23-21(24)17(5)22-19-13-9-10-15(3)16(19)4/h7-8,11-12,14-17,19,22H,6,9-10,13H2,1-5H3,(H,23,24)/t14-,15+,16+,17+,19-/m1/s1
InChIKeyACBYZPWRICIIFT-NLEPDTAZSA-N
MW330.52 g/mol
LogP4.94
Rot. Bonds6

About (2S)-N-[2-[(2R)-butan-2-yl]phenyl]-2-[[(1R,2S,3S)-2,3-dimethylcyclohexyl]amino]propanamide

(2S)-N-[2-[(2R)-butan-2-yl]phenyl]-2-[[(1R,2S,3S)-2,3-dimethylcyclohexyl]amino]propanamide (PubChem CID 11923114) has the molecular formula C21H34N2O and a molecular weight of 330.52 g/mol. Its IUPAC name is (2S)-N-[2-[(2R)-butan-2-yl]phenyl]-2-[[(1R,2S,3S)-2,3-dimethylcyclohexyl]amino]propanamide.

Molecular Properties

Compound Name(2S)-N-[2-[(2R)-butan-2-yl]phenyl]-2-[[(1R,2S,3S)-2,3-dimethylcyclohexyl]amino]propanamide
PubChem CID11923114
Molecular FormulaC21H34N2O
Molecular Weight330.52 g/mol
Exact Mass330.27
IUPAC Name(2S)-N-[2-[(2R)-butan-2-yl]phenyl]-2-[[(1R,2S,3S)-2,3-dimethylcyclohexyl]amino]propanamide
SMILESCC[C@@H](C)c1ccccc1NC(=O)[C@H](C)N[C@@H]1CCC[C@H](C)[C@@H]1C
InChIInChI=1S/C21H34N2O/c1-6-14(2)18-11-7-8-12-20(18)23-21(24)17(5)22-19-13-9-10-15(3)16(19)4/h7-8,11-12,14-17,19,22H,6,9-10,13H2,1-5H3,(H,23,24)/t14-,15+,16+,17+,19-/m1/s1
InChIKeyACBYZPWRICIIFT-NLEPDTAZSA-N
XLogP4.94
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.52
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (2S)-N-[2-[(2R)-butan-2-yl]phenyl]-2-[[(1R,2S,3S)-2,3-dimethylcyclohexyl]amino]propanamide with MolForge

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Related Compounds

[(2R)-1-[2-[(2S)-butan-2-yl]anilino]-1-oxopropan-2-yl]-[(1R,2S,3S)-2,3-dimethylcyclohexyl]azanium
CID 11923111
[(2R)-1-[2-[(2R)-butan-2-yl]anilino]-1-oxopropan-2-yl]-[(1R,2S,3S)-2,3-dimethylcyclohexyl]azanium
CID 11923109
[(2S)-1-[2-[(2R)-butan-2-yl]anilino]-1-oxopropan-2-yl]-[(1R,2S,3S)-2,3-dimethylcyclohexyl]azanium
CID 11923113
(2R)-2-[[(1R,2S,3S)-2,3-dimethylcyclohexyl]amino]-N-(4-ethylphenyl)propanamide
CID 11939445
(2S)-2-[[(1R,2R,3R)-2,3-dimethylcyclohexyl]amino]-N-(2,3,4-trifluorophenyl)propanamide
CID 11939545
(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
2-[2-[(2,3-dimethylcyclohexyl)amino]propanoylamino]-N-(furan-2-ylmethyl)benzamide
CID 112811103
N-[2-[(2S)-butan-2-yl]phenyl]-2-methylpropanamide
CID 959786
(2R)-2-acetamido-N-[2-[(2S)-butan-2-yl]phenyl]propanamide
CID 8894212
(2S)-2-[[(1S,2S,3S)-2,3-dimethylcyclohexyl]amino]-N-(3-methylphenyl)propanamide
CID 11939515
2-[(2,3-dimethylcyclohexyl)amino]-N-(3-methylphenyl)propanamide
CID 73147099

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[2-[(2R)-butan-2-yl]phenyl]-2-[[(1R,2S,3S)-2,3-dimethylcyclohexyl]amino]propanamide?
The IUPAC name of (2S)-N-[2-[(2R)-butan-2-yl]phenyl]-2-[[(1R,2S,3S)-2,3-dimethylcyclohexyl]amino]propanamide (CID 11923114) is (2S)-N-[2-[(2R)-butan-2-yl]phenyl]-2-[[(1R,2S,3S)-2,3-dimethylcyclohexyl]amino]propanamide.
What is the SMILES notation for (2S)-N-[2-[(2R)-butan-2-yl]phenyl]-2-[[(1R,2S,3S)-2,3-dimethylcyclohexyl]amino]propanamide?
The canonical SMILES for (2S)-N-[2-[(2R)-butan-2-yl]phenyl]-2-[[(1R,2S,3S)-2,3-dimethylcyclohexyl]amino]propanamide is CC[C@@H](C)c1ccccc1NC(=O)[C@H](C)N[C@@H]1CCC[C@H](C)[C@@H]1C.
What is the InChIKey of (2S)-N-[2-[(2R)-butan-2-yl]phenyl]-2-[[(1R,2S,3S)-2,3-dimethylcyclohexyl]amino]propanamide?
The InChIKey is ACBYZPWRICIIFT-NLEPDTAZSA-N. The full InChI is InChI=1S/C21H34N2O/c1-6-14(2)18-11-7-8-12-20(18)23-21(24)17(5)22-19-13-9-10-15(3)16(19)4/h7-8,11-12,14-17,19,22H,6,9-10,13H2,1-5H3,(H,23,24)/t14-,15+,16+,17+,19-/m1/s1.
What are the key properties of (2S)-N-[2-[(2R)-butan-2-yl]phenyl]-2-[[(1R,2S,3S)-2,3-dimethylcyclohexyl]amino]propanamide?
(2S)-N-[2-[(2R)-butan-2-yl]phenyl]-2-[[(1R,2S,3S)-2,3-dimethylcyclohexyl]amino]propanamide has a molecular weight of 330.52 g/mol, XLogP of 4.94, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[2-[(2R)-butan-2-yl]phenyl]-2-[[(1R,2S,3S)-2,3-dimethylcyclohexyl]amino]propanamide is sourced from PubChem (CID 11923114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).