(2S)-2-(3-acetamidoanilino)-N-cyclohexylpropanamide

C17H25N3O2 — CID 40680935

IUPAC(2S)-2-(3-acetamidoanilino)-N-cyclohexylpropanamide
SMILESCC(=O)Nc1cccc(N[C@@H](C)C(=O)NC2CCCCC2)c1
InChIInChI=1S/C17H25N3O2/c1-12(17(22)20-14-7-4-3-5-8-14)18-15-9-6-10-16(11-15)19-13(2)21/h6,9-12,14,18H,3-5,7-8H2,1-2H3,(H,19,21)(H,20,22)/t12-/m0/s1
InChIKeyRIZUSZGIVMLSRI-LBPRGKRZSA-N
MW303.41 g/mol
LogP2.89
Rot. Bonds5

About (2S)-2-(3-acetamidoanilino)-N-cyclohexylpropanamide

(2S)-2-(3-acetamidoanilino)-N-cyclohexylpropanamide (PubChem CID 40680935) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is (2S)-2-(3-acetamidoanilino)-N-cyclohexylpropanamide.

Molecular Properties

Compound Name(2S)-2-(3-acetamidoanilino)-N-cyclohexylpropanamide
PubChem CID40680935
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Name(2S)-2-(3-acetamidoanilino)-N-cyclohexylpropanamide
SMILESCC(=O)Nc1cccc(N[C@@H](C)C(=O)NC2CCCCC2)c1
InChIInChI=1S/C17H25N3O2/c1-12(17(22)20-14-7-4-3-5-8-14)18-15-9-6-10-16(11-15)19-13(2)21/h6,9-12,14,18H,3-5,7-8H2,1-2H3,(H,19,21)(H,20,22)/t12-/m0/s1
InChIKeyRIZUSZGIVMLSRI-LBPRGKRZSA-N
XLogP2.89
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 52.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-acetamidoanilino)-N-cyclopentylpropanamide
CID 43083456
N-cyclohexyl-2-(3-fluoroanilino)propanamide
CID 43083427
3-[[1-(cyclohexylamino)-1-oxopropan-2-yl]amino]benzamide
CID 103600833
N-cyclohexyl-2-(3-ethynylanilino)propanamide
CID 43114037
2-(3-acetamidoanilino)-N-propan-2-ylpropanamide
CID 43084802
N-cyclohexyl-2-(3,5-dimethylanilino)propanamide
CID 43083597
[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 3-acetamidobenzoate
CID 2638280
1-N'-(3-acetamidophenyl)-1-N-cyclohexylcyclopropane-1,1-dicarboxamide
CID 108972266
(2S)-2-(4-bromo-3-methylanilino)-N-cyclohexylpropanamide
CID 7043625
acetic acid;N-[3-(propan-2-ylamino)phenyl]acetamide
CID 174839462
N-cyclopropyl-2-(3-methylsulfanylanilino)propanamide
CID 43085917
N-cyclopropyl-2-(3-methoxyanilino)propanamide
CID 43085846

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3-acetamidoanilino)-N-cyclohexylpropanamide?
The IUPAC name of (2S)-2-(3-acetamidoanilino)-N-cyclohexylpropanamide (CID 40680935) is (2S)-2-(3-acetamidoanilino)-N-cyclohexylpropanamide.
What is the SMILES notation for (2S)-2-(3-acetamidoanilino)-N-cyclohexylpropanamide?
The canonical SMILES for (2S)-2-(3-acetamidoanilino)-N-cyclohexylpropanamide is CC(=O)Nc1cccc(N[C@@H](C)C(=O)NC2CCCCC2)c1.
What is the InChIKey of (2S)-2-(3-acetamidoanilino)-N-cyclohexylpropanamide?
The InChIKey is RIZUSZGIVMLSRI-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-12(17(22)20-14-7-4-3-5-8-14)18-15-9-6-10-16(11-15)19-13(2)21/h6,9-12,14,18H,3-5,7-8H2,1-2H3,(H,19,21)(H,20,22)/t12-/m0/s1.
What are the key properties of (2S)-2-(3-acetamidoanilino)-N-cyclohexylpropanamide?
(2S)-2-(3-acetamidoanilino)-N-cyclohexylpropanamide has a molecular weight of 303.41 g/mol, XLogP of 2.89, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3-acetamidoanilino)-N-cyclohexylpropanamide is sourced from PubChem (CID 40680935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).