(Z)-N-butyl-2-cyano-3-(naphthalen-1-ylamino)prop-2-enamide

C18H19N3O — CID 108833765

IUPAC(Z)-N-butyl-2-cyano-3-(naphthalen-1-ylamino)prop-2-enamide
SMILESCCCCNC(=O)/C(C#N)=C\Nc1cccc2ccccc12
InChIInChI=1S/C18H19N3O/c1-2-3-11-20-18(22)15(12-19)13-21-17-10-6-8-14-7-4-5-9-16(14)17/h4-10,13,21H,2-3,11H2,1H3,(H,20,22)/b15-13-
InChIKeyWOJCAJDKKBDUMU-SQFISAMPSA-N
MW293.37 g/mol
LogP3.58
Rot. Bonds6

About (Z)-N-butyl-2-cyano-3-(naphthalen-1-ylamino)prop-2-enamide

(Z)-N-butyl-2-cyano-3-(naphthalen-1-ylamino)prop-2-enamide (PubChem CID 108833765) has the molecular formula C18H19N3O and a molecular weight of 293.37 g/mol. Its IUPAC name is (Z)-N-butyl-2-cyano-3-(naphthalen-1-ylamino)prop-2-enamide.

Molecular Properties

Compound Name(Z)-N-butyl-2-cyano-3-(naphthalen-1-ylamino)prop-2-enamide
PubChem CID108833765
Molecular FormulaC18H19N3O
Molecular Weight293.37 g/mol
Exact Mass293.15
IUPAC Name(Z)-N-butyl-2-cyano-3-(naphthalen-1-ylamino)prop-2-enamide
SMILESCCCCNC(=O)/C(C#N)=C\Nc1cccc2ccccc12
InChIInChI=1S/C18H19N3O/c1-2-3-11-20-18(22)15(12-19)13-21-17-10-6-8-14-7-4-5-9-16(14)17/h4-10,13,21H,2-3,11H2,1H3,(H,20,22)/b15-13-
InChIKeyWOJCAJDKKBDUMU-SQFISAMPSA-N
XLogP3.58
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-[[(Z)-2-cyano-3-(naphthalen-1-ylamino)prop-2-enoyl]amino]acetic acid
CID 108844136
(Z)-N-(4-butylphenyl)-2-cyano-3-(naphthalen-1-ylamino)prop-2-enamide
CID 108828196
(Z)-N-[(4-chlorophenyl)methyl]-2-cyano-3-(naphthalen-1-ylamino)prop-2-enamide
CID 108839715
(Z)-2-cyano-3-(2-ethylanilino)-N-propylprop-2-enamide
CID 108820394
(Z)-N-(3-butoxypropyl)-2-cyano-3-(2-methylanilino)prop-2-enamide
CID 108836903
(Z)-2-cyano-3-[(5-hydroxynaphthalen-1-yl)amino]-N-(3-methoxypropyl)prop-2-enamide
CID 108836588
(Z)-N-(3-butoxypropyl)-2-cyano-3-(quinolin-8-ylamino)prop-2-enamide
CID 108837152
(Z)-N-butyl-2-cyano-3-(3-fluoroanilino)prop-2-enamide
CID 108833823
(Z)-N-(3-butoxypropyl)-2-cyano-3-(2-methoxyanilino)prop-2-enamide
CID 108836902
(Z)-N-benzhydryl-2-cyano-3-(naphthalen-1-ylamino)prop-2-enamide
CID 108840461
(Z)-N-(2-chlorophenyl)-2-cyano-3-(naphthalen-1-ylamino)prop-2-enamide
CID 108824467
(Z)-N-butyl-2-cyano-3-(4-fluoroanilino)prop-2-enamide
CID 108833646

Frequently Asked Questions

What is the IUPAC name of (Z)-N-butyl-2-cyano-3-(naphthalen-1-ylamino)prop-2-enamide?
The IUPAC name of (Z)-N-butyl-2-cyano-3-(naphthalen-1-ylamino)prop-2-enamide (CID 108833765) is (Z)-N-butyl-2-cyano-3-(naphthalen-1-ylamino)prop-2-enamide.
What is the SMILES notation for (Z)-N-butyl-2-cyano-3-(naphthalen-1-ylamino)prop-2-enamide?
The canonical SMILES for (Z)-N-butyl-2-cyano-3-(naphthalen-1-ylamino)prop-2-enamide is CCCCNC(=O)/C(C#N)=C\Nc1cccc2ccccc12.
What is the InChIKey of (Z)-N-butyl-2-cyano-3-(naphthalen-1-ylamino)prop-2-enamide?
The InChIKey is WOJCAJDKKBDUMU-SQFISAMPSA-N. The full InChI is InChI=1S/C18H19N3O/c1-2-3-11-20-18(22)15(12-19)13-21-17-10-6-8-14-7-4-5-9-16(14)17/h4-10,13,21H,2-3,11H2,1H3,(H,20,22)/b15-13-.
What are the key properties of (Z)-N-butyl-2-cyano-3-(naphthalen-1-ylamino)prop-2-enamide?
(Z)-N-butyl-2-cyano-3-(naphthalen-1-ylamino)prop-2-enamide has a molecular weight of 293.37 g/mol, XLogP of 3.58, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-butyl-2-cyano-3-(naphthalen-1-ylamino)prop-2-enamide is sourced from PubChem (CID 108833765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).