(2S)-N-cyclohexyl-2-(2,4-dimethoxyanilino)propanamide

C17H26N2O3 — CID 92717913

IUPAC(2S)-N-cyclohexyl-2-(2,4-dimethoxyanilino)propanamide
SMILESCOc1ccc(N[C@@H](C)C(=O)NC2CCCCC2)c(OC)c1
InChIInChI=1S/C17H26N2O3/c1-12(17(20)19-13-7-5-4-6-8-13)18-15-10-9-14(21-2)11-16(15)22-3/h9-13,18H,4-8H2,1-3H3,(H,19,20)/t12-/m0/s1
InChIKeyVJSJNYGNIBRERF-LBPRGKRZSA-N
MW306.41 g/mol
LogP2.95
Rot. Bonds6

About (2S)-N-cyclohexyl-2-(2,4-dimethoxyanilino)propanamide

(2S)-N-cyclohexyl-2-(2,4-dimethoxyanilino)propanamide (PubChem CID 92717913) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is (2S)-N-cyclohexyl-2-(2,4-dimethoxyanilino)propanamide.

Molecular Properties

Compound Name(2S)-N-cyclohexyl-2-(2,4-dimethoxyanilino)propanamide
PubChem CID92717913
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC Name(2S)-N-cyclohexyl-2-(2,4-dimethoxyanilino)propanamide
SMILESCOc1ccc(N[C@@H](C)C(=O)NC2CCCCC2)c(OC)c1
InChIInChI=1S/C17H26N2O3/c1-12(17(20)19-13-7-5-4-6-8-13)18-15-10-9-14(21-2)11-16(15)22-3/h9-13,18H,4-8H2,1-3H3,(H,19,20)/t12-/m0/s1
InChIKeyVJSJNYGNIBRERF-LBPRGKRZSA-N
XLogP2.95
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-(cyclopropylcarbamoyl)-2-(2,4-dimethoxyanilino)propanamide
CID 51281614
2-(5-chloro-2-methoxyanilino)-N-cyclohexylpropanamide
CID 43083885
1-cycloheptyl-3-(2,5-dimethoxyphenyl)urea
CID 6470715
2-(2,4-dimethoxyanilino)-N-propylpropanamide
CID 43087415
3-N-cyclohexyl-1-N-(2,4-dimethoxyphenyl)benzene-1,3-dicarboxamide
CID 109052232
N-butan-2-yl-2-(2,4-dimethoxyanilino)propanamide
CID 43113547
N-cyclohexyl-N'-(2,4-dimethoxyphenyl)-2,2-dimethylpropanediamide
CID 108959041
1-cyclooctyl-3-(2,4-dimethoxyphenyl)thiourea
CID 19650524
(2S)-N-(tert-butylcarbamoyl)-2-(2,4-dimethoxyanilino)propanamide
CID 35969817
N-cycloheptyl-6-(2,4-dimethoxyanilino)pyridine-3-carboxamide
CID 109161067
N-cycloheptyl-2-(2,5-dimethoxyphenyl)acetamide
CID 7580886
N-cyclopentyl-2-(2,4-dimethoxyphenyl)acetamide
CID 17474203

Frequently Asked Questions

What is the IUPAC name of (2S)-N-cyclohexyl-2-(2,4-dimethoxyanilino)propanamide?
The IUPAC name of (2S)-N-cyclohexyl-2-(2,4-dimethoxyanilino)propanamide (CID 92717913) is (2S)-N-cyclohexyl-2-(2,4-dimethoxyanilino)propanamide.
What is the SMILES notation for (2S)-N-cyclohexyl-2-(2,4-dimethoxyanilino)propanamide?
The canonical SMILES for (2S)-N-cyclohexyl-2-(2,4-dimethoxyanilino)propanamide is COc1ccc(N[C@@H](C)C(=O)NC2CCCCC2)c(OC)c1.
What is the InChIKey of (2S)-N-cyclohexyl-2-(2,4-dimethoxyanilino)propanamide?
The InChIKey is VJSJNYGNIBRERF-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-12(17(20)19-13-7-5-4-6-8-13)18-15-10-9-14(21-2)11-16(15)22-3/h9-13,18H,4-8H2,1-3H3,(H,19,20)/t12-/m0/s1.
What are the key properties of (2S)-N-cyclohexyl-2-(2,4-dimethoxyanilino)propanamide?
(2S)-N-cyclohexyl-2-(2,4-dimethoxyanilino)propanamide has a molecular weight of 306.41 g/mol, XLogP of 2.95, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-cyclohexyl-2-(2,4-dimethoxyanilino)propanamide is sourced from PubChem (CID 92717913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).