N-carbamoyl-2-(3,5-dimethoxyanilino)propanamide

C12H17N3O4 — CID 43086081

IUPACN-carbamoyl-2-(3,5-dimethoxyanilino)propanamide
SMILESCOc1cc(NC(C)C(=O)NC(N)=O)cc(OC)c1
InChIInChI=1S/C12H17N3O4/c1-7(11(16)15-12(13)17)14-8-4-9(18-2)6-10(5-8)19-3/h4-7,14H,1-3H3,(H3,13,15,16,17)
InChIKeyMCHQUVOEOJCDOV-UHFFFAOYSA-N
MW267.29 g/mol
LogP0.70
Rot. Bonds5

About N-carbamoyl-2-(3,5-dimethoxyanilino)propanamide

N-carbamoyl-2-(3,5-dimethoxyanilino)propanamide (PubChem CID 43086081) has the molecular formula C12H17N3O4 and a molecular weight of 267.29 g/mol. Its IUPAC name is N-carbamoyl-2-(3,5-dimethoxyanilino)propanamide.

Molecular Properties

Compound NameN-carbamoyl-2-(3,5-dimethoxyanilino)propanamide
PubChem CID43086081
Molecular FormulaC12H17N3O4
Molecular Weight267.29 g/mol
Exact Mass267.12
IUPAC NameN-carbamoyl-2-(3,5-dimethoxyanilino)propanamide
SMILESCOc1cc(NC(C)C(=O)NC(N)=O)cc(OC)c1
InChIInChI=1S/C12H17N3O4/c1-7(11(16)15-12(13)17)14-8-4-9(18-2)6-10(5-8)19-3/h4-7,14H,1-3H3,(H3,13,15,16,17)
InChIKeyMCHQUVOEOJCDOV-UHFFFAOYSA-N
XLogP0.70
TPSA102.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 50.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-N-carbamoyl-2-(3,5-dimethylanilino)propanamide
CID 28835532
(2S)-2-(3,5-dimethoxyanilino)propanoic acid
CID 54357232
(2R)-2-(3,5-dimethoxyanilino)-N-phenylpropanamide
CID 40938038
(2R)-N-carbamoyl-2-(4-phenoxyanilino)propanamide
CID 25409314
2-(3-bromo-5-methoxyanilino)-N-(ethylcarbamoyl)propanamide
CID 82867225
(2S)-N-carbamoyl-2-(4-ethoxyanilino)propanamide
CID 41036741
[(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 3,5-dimethoxybenzoate
CID 7727195
2-(3,5-dimethoxyanilino)-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 45100106
methyl 2-[(3,5-dimethoxyphenyl)carbamoylamino]propanoate
CID 5151052
(2R)-N-(3,5-dimethoxyphenyl)-2-[(6-methoxy-3-pyridinyl)amino]propanamide
CID 25345790
N-carbamoyl-2-(4-methylsulfanylanilino)propanamide
CID 43086461
2-(4-bromo-3-methylanilino)-N-carbamoylpropanamide
CID 17413409

Frequently Asked Questions

What is the IUPAC name of N-carbamoyl-2-(3,5-dimethoxyanilino)propanamide?
The IUPAC name of N-carbamoyl-2-(3,5-dimethoxyanilino)propanamide (CID 43086081) is N-carbamoyl-2-(3,5-dimethoxyanilino)propanamide.
What is the SMILES notation for N-carbamoyl-2-(3,5-dimethoxyanilino)propanamide?
The canonical SMILES for N-carbamoyl-2-(3,5-dimethoxyanilino)propanamide is COc1cc(NC(C)C(=O)NC(N)=O)cc(OC)c1.
What is the InChIKey of N-carbamoyl-2-(3,5-dimethoxyanilino)propanamide?
The InChIKey is MCHQUVOEOJCDOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O4/c1-7(11(16)15-12(13)17)14-8-4-9(18-2)6-10(5-8)19-3/h4-7,14H,1-3H3,(H3,13,15,16,17).
What are the key properties of N-carbamoyl-2-(3,5-dimethoxyanilino)propanamide?
N-carbamoyl-2-(3,5-dimethoxyanilino)propanamide has a molecular weight of 267.29 g/mol, XLogP of 0.70, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamoyl-2-(3,5-dimethoxyanilino)propanamide is sourced from PubChem (CID 43086081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).