2-[(4-cyano-3-methoxyphenyl)methylamino]-N-ethylpropanamide

C14H19N3O2 — CID 106787249

IUPAC2-[(4-cyano-3-methoxyphenyl)methylamino]-N-ethylpropanamide
SMILESCCNC(=O)C(C)NCc1ccc(C#N)c(OC)c1
InChIInChI=1S/C14H19N3O2/c1-4-16-14(18)10(2)17-9-11-5-6-12(8-15)13(7-11)19-3/h5-7,10,17H,4,9H2,1-3H3,(H,16,18)
InChIKeyAGRBRWZBVHTHEW-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.18
Rot. Bonds6

About 2-[(4-cyano-3-methoxyphenyl)methylamino]-N-ethylpropanamide

2-[(4-cyano-3-methoxyphenyl)methylamino]-N-ethylpropanamide (PubChem CID 106787249) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 2-[(4-cyano-3-methoxyphenyl)methylamino]-N-ethylpropanamide.

Molecular Properties

Compound Name2-[(4-cyano-3-methoxyphenyl)methylamino]-N-ethylpropanamide
PubChem CID106787249
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name2-[(4-cyano-3-methoxyphenyl)methylamino]-N-ethylpropanamide
SMILESCCNC(=O)C(C)NCc1ccc(C#N)c(OC)c1
InChIInChI=1S/C14H19N3O2/c1-4-16-14(18)10(2)17-9-11-5-6-12(8-15)13(7-11)19-3/h5-7,10,17H,4,9H2,1-3H3,(H,16,18)
InChIKeyAGRBRWZBVHTHEW-UHFFFAOYSA-N
XLogP1.18
TPSA74.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[(4-cyano-3-methoxyphenyl)methylamino]propanoic acid
CID 106792601
2-[(4-cyano-3-methoxyphenyl)methylamino]-N-ethylacetamide
CID 106787110
methyl (2S)-2-[(3-cyano-4-methoxyphenyl)methylamino]propanoate
CID 65341138
2-methoxy-4-[(2-methylpentan-3-ylamino)methyl]benzonitrile
CID 106787238
4-[[1-(diethylamino)propan-2-ylamino]methyl]-2-methoxybenzonitrile
CID 106787372
4-[(1-cyclopentylethylamino)methyl]-2-methoxybenzonitrile
CID 106787528
N-ethyl-2-[(2,4,6-trimethoxyphenyl)methylamino]propanamide
CID 43399013
N-[(4-cyano-3-methoxyphenyl)methyl]but-2-ynamide
CID 146090909
2-[(3,4-dimethoxyphenyl)methylamino]-N-methylpropanamide
CID 43400841
N-ethyl-2-[2-methoxy-4-[(propan-2-ylamino)methyl]phenoxy]propanamide
CID 43278651
N-ethyl-2-[(4-nitrophenyl)methylamino]propanamide
CID 43400092
2-[(4-bromo-3-methylphenyl)methylamino]-N-ethylpropanamide
CID 66471990

Frequently Asked Questions

What is the IUPAC name of 2-[(4-cyano-3-methoxyphenyl)methylamino]-N-ethylpropanamide?
The IUPAC name of 2-[(4-cyano-3-methoxyphenyl)methylamino]-N-ethylpropanamide (CID 106787249) is 2-[(4-cyano-3-methoxyphenyl)methylamino]-N-ethylpropanamide.
What is the SMILES notation for 2-[(4-cyano-3-methoxyphenyl)methylamino]-N-ethylpropanamide?
The canonical SMILES for 2-[(4-cyano-3-methoxyphenyl)methylamino]-N-ethylpropanamide is CCNC(=O)C(C)NCc1ccc(C#N)c(OC)c1.
What is the InChIKey of 2-[(4-cyano-3-methoxyphenyl)methylamino]-N-ethylpropanamide?
The InChIKey is AGRBRWZBVHTHEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-4-16-14(18)10(2)17-9-11-5-6-12(8-15)13(7-11)19-3/h5-7,10,17H,4,9H2,1-3H3,(H,16,18).
What are the key properties of 2-[(4-cyano-3-methoxyphenyl)methylamino]-N-ethylpropanamide?
2-[(4-cyano-3-methoxyphenyl)methylamino]-N-ethylpropanamide has a molecular weight of 261.32 g/mol, XLogP of 1.18, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-cyano-3-methoxyphenyl)methylamino]-N-ethylpropanamide is sourced from PubChem (CID 106787249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).