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

C19H29N3O2 — CID 11946763

IUPAC(2S)-N-(4-acetamidophenyl)-2-[[(1S,2R,3S)-2,3-dimethylcyclohexyl]amino]propanamide
SMILESCC(=O)Nc1ccc(NC(=O)[C@H](C)N[C@H]2CCC[C@H](C)[C@H]2C)cc1
InChIInChI=1S/C19H29N3O2/c1-12-6-5-7-18(13(12)2)20-14(3)19(24)22-17-10-8-16(9-11-17)21-15(4)23/h8-14,18,20H,5-7H2,1-4H3,(H,21,23)(H,22,24)/t12-,13+,14-,18-/m0/s1
InChIKeyASOLXHRKYUOPGC-AHXJXLJNSA-N
MW331.46 g/mol
LogP3.39
Rot. Bonds5

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

(2S)-N-(4-acetamidophenyl)-2-[[(1S,2R,3S)-2,3-dimethylcyclohexyl]amino]propanamide (PubChem CID 11946763) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is (2S)-N-(4-acetamidophenyl)-2-[[(1S,2R,3S)-2,3-dimethylcyclohexyl]amino]propanamide.

Molecular Properties

Compound Name(2S)-N-(4-acetamidophenyl)-2-[[(1S,2R,3S)-2,3-dimethylcyclohexyl]amino]propanamide
PubChem CID11946763
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC Name(2S)-N-(4-acetamidophenyl)-2-[[(1S,2R,3S)-2,3-dimethylcyclohexyl]amino]propanamide
SMILESCC(=O)Nc1ccc(NC(=O)[C@H](C)N[C@H]2CCC[C@H](C)[C@H]2C)cc1
InChIInChI=1S/C19H29N3O2/c1-12-6-5-7-18(13(12)2)20-14(3)19(24)22-17-10-8-16(9-11-17)21-15(4)23/h8-14,18,20H,5-7H2,1-4H3,(H,21,23)(H,22,24)/t12-,13+,14-,18-/m0/s1
InChIKeyASOLXHRKYUOPGC-AHXJXLJNSA-N
XLogP3.39
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 53.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (2S)-N-(4-acetamidophenyl)-2-[[(1S,2R,3S)-2,3-dimethylcyclohexyl]amino]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-N-(4-acetamidophenyl)-2-[[(1S,2R,3R)-2,3-dimethylcyclohexyl]amino]propanamide
CID 11946761
4-[[(2S)-2-[[(1R,2R,3R)-2,3-dimethylcyclohexyl]amino]propanoyl]amino]benzamide
CID 11939553
(2R)-2-[[(1R,2S,3S)-2,3-dimethylcyclohexyl]amino]-N-(4-ethylphenyl)propanamide
CID 11939445
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,3R)-2,3-dimethylcyclohexyl]amino]propanamide
CID 11923386
(2S)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[(1S,2R,3S)-2,3-dimethylcyclohexyl]amino]propanamide
CID 11923388
N-(4-ethylphenyl)-2-[(2-methylcyclohexyl)amino]propanamide
CID 112768865
(2S)-2-[[(1R,2R,3R)-2,3-dimethylcyclohexyl]amino]-N-(2,3,4-trifluorophenyl)propanamide
CID 11939545
N-[4-[[(1S,2R,3S)-2,3-dimethylcyclohexyl]carbamothioyl]phenyl]acetamide
CID 6599147
[(2S)-1-(4-acetamidoanilino)-1-oxopropan-2-yl]-[(1S,2R,3R)-2,3-dimethylcyclohexyl]azanium
CID 11946760
(2S)-N-[2-[(2R)-butan-2-yl]phenyl]-2-[[(1R,2S,3S)-2,3-dimethylcyclohexyl]amino]propanamide
CID 11923114

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(4-acetamidophenyl)-2-[[(1S,2R,3S)-2,3-dimethylcyclohexyl]amino]propanamide?
The IUPAC name of (2S)-N-(4-acetamidophenyl)-2-[[(1S,2R,3S)-2,3-dimethylcyclohexyl]amino]propanamide (CID 11946763) is (2S)-N-(4-acetamidophenyl)-2-[[(1S,2R,3S)-2,3-dimethylcyclohexyl]amino]propanamide.
What is the SMILES notation for (2S)-N-(4-acetamidophenyl)-2-[[(1S,2R,3S)-2,3-dimethylcyclohexyl]amino]propanamide?
The canonical SMILES for (2S)-N-(4-acetamidophenyl)-2-[[(1S,2R,3S)-2,3-dimethylcyclohexyl]amino]propanamide is CC(=O)Nc1ccc(NC(=O)[C@H](C)N[C@H]2CCC[C@H](C)[C@H]2C)cc1.
What is the InChIKey of (2S)-N-(4-acetamidophenyl)-2-[[(1S,2R,3S)-2,3-dimethylcyclohexyl]amino]propanamide?
The InChIKey is ASOLXHRKYUOPGC-AHXJXLJNSA-N. The full InChI is InChI=1S/C19H29N3O2/c1-12-6-5-7-18(13(12)2)20-14(3)19(24)22-17-10-8-16(9-11-17)21-15(4)23/h8-14,18,20H,5-7H2,1-4H3,(H,21,23)(H,22,24)/t12-,13+,14-,18-/m0/s1.
What are the key properties of (2S)-N-(4-acetamidophenyl)-2-[[(1S,2R,3S)-2,3-dimethylcyclohexyl]amino]propanamide?
(2S)-N-(4-acetamidophenyl)-2-[[(1S,2R,3S)-2,3-dimethylcyclohexyl]amino]propanamide has a molecular weight of 331.46 g/mol, XLogP of 3.39, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(4-acetamidophenyl)-2-[[(1S,2R,3S)-2,3-dimethylcyclohexyl]amino]propanamide is sourced from PubChem (CID 11946763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).