N-(cyclopropylcarbamoyl)-2-(2,4-dimethoxyanilino)propanamide

C15H21N3O4 — CID 51281614

IUPACN-(cyclopropylcarbamoyl)-2-(2,4-dimethoxyanilino)propanamide
SMILESCOc1ccc(NC(C)C(=O)NC(=O)NC2CC2)c(OC)c1
InChIInChI=1S/C15H21N3O4/c1-9(14(19)18-15(20)17-10-4-5-10)16-12-7-6-11(21-2)8-13(12)22-3/h6-10,16H,4-5H2,1-3H3,(H2,17,18,19,20)
InChIKeySHOTWVVPQGKAGG-UHFFFAOYSA-N
MW307.35 g/mol
LogP1.49
Rot. Bonds6

About N-(cyclopropylcarbamoyl)-2-(2,4-dimethoxyanilino)propanamide

N-(cyclopropylcarbamoyl)-2-(2,4-dimethoxyanilino)propanamide (PubChem CID 51281614) has the molecular formula C15H21N3O4 and a molecular weight of 307.35 g/mol. Its IUPAC name is N-(cyclopropylcarbamoyl)-2-(2,4-dimethoxyanilino)propanamide.

Molecular Properties

Compound NameN-(cyclopropylcarbamoyl)-2-(2,4-dimethoxyanilino)propanamide
PubChem CID51281614
Molecular FormulaC15H21N3O4
Molecular Weight307.35 g/mol
Exact Mass307.15
IUPAC NameN-(cyclopropylcarbamoyl)-2-(2,4-dimethoxyanilino)propanamide
SMILESCOc1ccc(NC(C)C(=O)NC(=O)NC2CC2)c(OC)c1
InChIInChI=1S/C15H21N3O4/c1-9(14(19)18-15(20)17-10-4-5-10)16-12-7-6-11(21-2)8-13(12)22-3/h6-10,16H,4-5H2,1-3H3,(H2,17,18,19,20)
InChIKeySHOTWVVPQGKAGG-UHFFFAOYSA-N
XLogP1.49
TPSA88.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 51.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2S)-N-cyclohexyl-2-(2,4-dimethoxyanilino)propanamide
CID 92717913
(2S)-N-(tert-butylcarbamoyl)-2-(2,4-dimethoxyanilino)propanamide
CID 35969817
2-(3-chloro-4-methoxyanilino)-N-(cyclopropylcarbamoyl)propanamide
CID 51281599
2-(2,4-dimethoxyanilino)-N-propylpropanamide
CID 43087415
N-(cyclopropylcarbamoyl)-2-[3-(difluoromethoxy)-4-methoxyanilino]propanamide
CID 24652338
N-butan-2-yl-2-(2,4-dimethoxyanilino)propanamide
CID 43113547
N-cyclopropyl-2-(3-methoxyanilino)propanamide
CID 43085846
(2R)-2-(2,4-dimethoxyanilino)-N-(4-phenoxyphenyl)propanamide
CID 25385741
N-(2,5-dichlorophenyl)-2-(2,4-dimethoxyanilino)propanamide
CID 46799719
(2R)-N-(cyclopentylcarbamoyl)-2-[[5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 9382731
1-N-cyclopropyl-4-N-(2,4-dimethoxyphenyl)benzene-1,4-dicarboxamide
CID 109043393
1-cycloheptyl-3-(2,5-dimethoxyphenyl)urea
CID 6470715

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylcarbamoyl)-2-(2,4-dimethoxyanilino)propanamide?
The IUPAC name of N-(cyclopropylcarbamoyl)-2-(2,4-dimethoxyanilino)propanamide (CID 51281614) is N-(cyclopropylcarbamoyl)-2-(2,4-dimethoxyanilino)propanamide.
What is the SMILES notation for N-(cyclopropylcarbamoyl)-2-(2,4-dimethoxyanilino)propanamide?
The canonical SMILES for N-(cyclopropylcarbamoyl)-2-(2,4-dimethoxyanilino)propanamide is COc1ccc(NC(C)C(=O)NC(=O)NC2CC2)c(OC)c1.
What is the InChIKey of N-(cyclopropylcarbamoyl)-2-(2,4-dimethoxyanilino)propanamide?
The InChIKey is SHOTWVVPQGKAGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O4/c1-9(14(19)18-15(20)17-10-4-5-10)16-12-7-6-11(21-2)8-13(12)22-3/h6-10,16H,4-5H2,1-3H3,(H2,17,18,19,20).
What are the key properties of N-(cyclopropylcarbamoyl)-2-(2,4-dimethoxyanilino)propanamide?
N-(cyclopropylcarbamoyl)-2-(2,4-dimethoxyanilino)propanamide has a molecular weight of 307.35 g/mol, XLogP of 1.49, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylcarbamoyl)-2-(2,4-dimethoxyanilino)propanamide is sourced from PubChem (CID 51281614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).