2-(2,4-dimethoxyanilino)-N-propylpropanamide

C14H22N2O3 — CID 43087415

IUPAC2-(2,4-dimethoxyanilino)-N-propylpropanamide
SMILESCCCNC(=O)C(C)Nc1ccc(OC)cc1OC
InChIInChI=1S/C14H22N2O3/c1-5-8-15-14(17)10(2)16-12-7-6-11(18-3)9-13(12)19-4/h6-7,9-10,16H,5,8H2,1-4H3,(H,15,17)
InChIKeySOAXOKITLFKAJZ-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.03
Rot. Bonds7

About 2-(2,4-dimethoxyanilino)-N-propylpropanamide

2-(2,4-dimethoxyanilino)-N-propylpropanamide (PubChem CID 43087415) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 2-(2,4-dimethoxyanilino)-N-propylpropanamide.

Molecular Properties

Compound Name2-(2,4-dimethoxyanilino)-N-propylpropanamide
PubChem CID43087415
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name2-(2,4-dimethoxyanilino)-N-propylpropanamide
SMILESCCCNC(=O)C(C)Nc1ccc(OC)cc1OC
InChIInChI=1S/C14H22N2O3/c1-5-8-15-14(17)10(2)16-12-7-6-11(18-3)9-13(12)19-4/h6-7,9-10,16H,5,8H2,1-4H3,(H,15,17)
InChIKeySOAXOKITLFKAJZ-UHFFFAOYSA-N
XLogP2.03
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.03
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-butan-2-yl-2-(2,4-dimethoxyanilino)propanamide
CID 43113547
N'-(2,4-dimethoxyphenyl)-N-propyloxamide
CID 44995967
(2S)-N-cyclohexyl-2-(2,4-dimethoxyanilino)propanamide
CID 92717913
ethyl 2-[2-(2,4-dimethoxyanilino)ethylamino]propanoate
CID 42847243
(2S)-N-(tert-butylcarbamoyl)-2-(2,4-dimethoxyanilino)propanamide
CID 35969817
N-butyl-2-(4-cyano-2-methoxyanilino)propanamide
CID 104848711
N-(cyclopropylcarbamoyl)-2-(2,4-dimethoxyanilino)propanamide
CID 51281614
2-[(5-methoxy-2-pyridinyl)amino]-N-propylpropanamide
CID 106504045
(2R)-2-(2,4-dimethoxyanilino)-N-(4-phenoxyphenyl)propanamide
CID 25385741
N-(2,5-dichlorophenyl)-2-(2,4-dimethoxyanilino)propanamide
CID 46799719
1-N-(2,4-dimethoxyphenyl)-2-N-propylcyclopropane-1,2-dicarboxamide
CID 109130555
(2S)-N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-(2,4-dimethoxyanilino)propanamide
CID 35957798

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethoxyanilino)-N-propylpropanamide?
The IUPAC name of 2-(2,4-dimethoxyanilino)-N-propylpropanamide (CID 43087415) is 2-(2,4-dimethoxyanilino)-N-propylpropanamide.
What is the SMILES notation for 2-(2,4-dimethoxyanilino)-N-propylpropanamide?
The canonical SMILES for 2-(2,4-dimethoxyanilino)-N-propylpropanamide is CCCNC(=O)C(C)Nc1ccc(OC)cc1OC.
What is the InChIKey of 2-(2,4-dimethoxyanilino)-N-propylpropanamide?
The InChIKey is SOAXOKITLFKAJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-5-8-15-14(17)10(2)16-12-7-6-11(18-3)9-13(12)19-4/h6-7,9-10,16H,5,8H2,1-4H3,(H,15,17).
What are the key properties of 2-(2,4-dimethoxyanilino)-N-propylpropanamide?
2-(2,4-dimethoxyanilino)-N-propylpropanamide has a molecular weight of 266.34 g/mol, XLogP of 2.03, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethoxyanilino)-N-propylpropanamide is sourced from PubChem (CID 43087415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).