N-carbamoyl-2-(4-cyano-2-methoxyanilino)propanamide

C12H14N4O3 — CID 104848768

IUPACN-carbamoyl-2-(4-cyano-2-methoxyanilino)propanamide
SMILESCOc1cc(C#N)ccc1NC(C)C(=O)NC(N)=O
InChIInChI=1S/C12H14N4O3/c1-7(11(17)16-12(14)18)15-9-4-3-8(6-13)5-10(9)19-2/h3-5,7,15H,1-2H3,(H3,14,16,17,18)
InChIKeyDCWRUYJHVICORX-UHFFFAOYSA-N
MW262.27 g/mol
LogP0.56
Rot. Bonds4

About N-carbamoyl-2-(4-cyano-2-methoxyanilino)propanamide

N-carbamoyl-2-(4-cyano-2-methoxyanilino)propanamide (PubChem CID 104848768) has the molecular formula C12H14N4O3 and a molecular weight of 262.27 g/mol. Its IUPAC name is N-carbamoyl-2-(4-cyano-2-methoxyanilino)propanamide.

Molecular Properties

Compound NameN-carbamoyl-2-(4-cyano-2-methoxyanilino)propanamide
PubChem CID104848768
Molecular FormulaC12H14N4O3
Molecular Weight262.27 g/mol
Exact Mass262.11
IUPAC NameN-carbamoyl-2-(4-cyano-2-methoxyanilino)propanamide
SMILESCOc1cc(C#N)ccc1NC(C)C(=O)NC(N)=O
InChIInChI=1S/C12H14N4O3/c1-7(11(17)16-12(14)18)15-9-4-3-8(6-13)5-10(9)19-2/h3-5,7,15H,1-2H3,(H3,14,16,17,18)
InChIKeyDCWRUYJHVICORX-UHFFFAOYSA-N
XLogP0.56
TPSA117.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 50.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-cyano-2-methoxyanilino)-N-pentan-2-ylpropanamide
CID 104848632
N-butyl-2-(4-cyano-2-methoxyanilino)propanamide
CID 104848711
3-methoxy-4-[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]benzonitrile
CID 104848648
4-(1-cyanoethylamino)-3-methoxybenzonitrile
CID 104848721
3-methoxy-4-(3-methylbutan-2-ylamino)benzonitrile
CID 104848054
2-bromo-N-(4-cyano-2-methoxyphenyl)propanamide
CID 107905736
4-(4-cyano-2-methoxyanilino)pentanoic acid
CID 104848343
3-(4-cyano-2-methoxyanilino)-2-methyl-3-oxopropanoic acid
CID 114898981
N-carbamoyl-2-(5-cyano-2-methylphenoxy)propanamide
CID 107663137
N-carbamoyl-2-(2-cyanoanilino)propanamide
CID 43086096
4-hydrazinyl-3-methoxybenzonitrile
CID 53404328
N-(4-cyano-2-methoxyphenyl)-2-methylpentanamide
CID 104848955

Frequently Asked Questions

What is the IUPAC name of N-carbamoyl-2-(4-cyano-2-methoxyanilino)propanamide?
The IUPAC name of N-carbamoyl-2-(4-cyano-2-methoxyanilino)propanamide (CID 104848768) is N-carbamoyl-2-(4-cyano-2-methoxyanilino)propanamide.
What is the SMILES notation for N-carbamoyl-2-(4-cyano-2-methoxyanilino)propanamide?
The canonical SMILES for N-carbamoyl-2-(4-cyano-2-methoxyanilino)propanamide is COc1cc(C#N)ccc1NC(C)C(=O)NC(N)=O.
What is the InChIKey of N-carbamoyl-2-(4-cyano-2-methoxyanilino)propanamide?
The InChIKey is DCWRUYJHVICORX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O3/c1-7(11(17)16-12(14)18)15-9-4-3-8(6-13)5-10(9)19-2/h3-5,7,15H,1-2H3,(H3,14,16,17,18).
What are the key properties of N-carbamoyl-2-(4-cyano-2-methoxyanilino)propanamide?
N-carbamoyl-2-(4-cyano-2-methoxyanilino)propanamide has a molecular weight of 262.27 g/mol, XLogP of 0.56, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamoyl-2-(4-cyano-2-methoxyanilino)propanamide is sourced from PubChem (CID 104848768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).