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

C15H21N3O2 — CID 104848711

IUPACN-butyl-2-(4-cyano-2-methoxyanilino)propanamide
SMILESCCCCNC(=O)C(C)Nc1ccc(C#N)cc1OC
InChIInChI=1S/C15H21N3O2/c1-4-5-8-17-15(19)11(2)18-13-7-6-12(10-16)9-14(13)20-3/h6-7,9,11,18H,4-5,8H2,1-3H3,(H,17,19)
InChIKeyYMBWPOKESVXQCK-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.28
Rot. Bonds7

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

N-butyl-2-(4-cyano-2-methoxyanilino)propanamide (PubChem CID 104848711) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is N-butyl-2-(4-cyano-2-methoxyanilino)propanamide.

Molecular Properties

Compound NameN-butyl-2-(4-cyano-2-methoxyanilino)propanamide
PubChem CID104848711
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC NameN-butyl-2-(4-cyano-2-methoxyanilino)propanamide
SMILESCCCCNC(=O)C(C)Nc1ccc(C#N)cc1OC
InChIInChI=1S/C15H21N3O2/c1-4-5-8-17-15(19)11(2)18-13-7-6-12(10-16)9-14(13)20-3/h6-7,9,11,18H,4-5,8H2,1-3H3,(H,17,19)
InChIKeyYMBWPOKESVXQCK-UHFFFAOYSA-N
XLogP2.28
TPSA74.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(4-cyano-2-methoxyanilino)-N-pentan-2-ylpropanamide
CID 104848632
1-butyl-3-(4-cyano-2-methoxyphenyl)urea
CID 104844634
N-carbamoyl-2-(4-cyano-2-methoxyanilino)propanamide
CID 104848768
2-(2,4-dimethoxyanilino)-N-propylpropanamide
CID 43087415
4-(heptylamino)-3-methoxybenzonitrile
CID 104848308
N-(4-cyano-2-methoxyphenyl)-2-methylpentanamide
CID 104848955
2-(4-cyano-2-methoxyanilino)-N-pentan-2-ylacetamide
CID 104843738
4-(4-cyano-2-methoxyanilino)pentanoic acid
CID 104848343
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

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-(4-cyano-2-methoxyanilino)propanamide?
The IUPAC name of N-butyl-2-(4-cyano-2-methoxyanilino)propanamide (CID 104848711) is N-butyl-2-(4-cyano-2-methoxyanilino)propanamide.
What is the SMILES notation for N-butyl-2-(4-cyano-2-methoxyanilino)propanamide?
The canonical SMILES for N-butyl-2-(4-cyano-2-methoxyanilino)propanamide is CCCCNC(=O)C(C)Nc1ccc(C#N)cc1OC.
What is the InChIKey of N-butyl-2-(4-cyano-2-methoxyanilino)propanamide?
The InChIKey is YMBWPOKESVXQCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-4-5-8-17-15(19)11(2)18-13-7-6-12(10-16)9-14(13)20-3/h6-7,9,11,18H,4-5,8H2,1-3H3,(H,17,19).
What are the key properties of N-butyl-2-(4-cyano-2-methoxyanilino)propanamide?
N-butyl-2-(4-cyano-2-methoxyanilino)propanamide has a molecular weight of 275.35 g/mol, XLogP of 2.28, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-(4-cyano-2-methoxyanilino)propanamide is sourced from PubChem (CID 104848711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).