(Z)-N-(4-butylphenyl)-2-cyano-3-(naphthalen-1-ylamino)prop-2-enamide

C24H23N3O — CID 108828196

IUPAC(Z)-N-(4-butylphenyl)-2-cyano-3-(naphthalen-1-ylamino)prop-2-enamide
SMILESCCCCc1ccc(NC(=O)/C(C#N)=C\Nc2cccc3ccccc23)cc1
InChIInChI=1S/C24H23N3O/c1-2-3-7-18-12-14-21(15-13-18)27-24(28)20(16-25)17-26-23-11-6-9-19-8-4-5-10-22(19)23/h4-6,8-15,17,26H,2-3,7H2,1H3,(H,27,28)/b20-17-
InChIKeyJIFTXDWGXAGWIW-JZJYNLBNSA-N
MW369.47 g/mol
LogP5.64
Rot. Bonds7

About (Z)-N-(4-butylphenyl)-2-cyano-3-(naphthalen-1-ylamino)prop-2-enamide

(Z)-N-(4-butylphenyl)-2-cyano-3-(naphthalen-1-ylamino)prop-2-enamide (PubChem CID 108828196) has the molecular formula C24H23N3O and a molecular weight of 369.47 g/mol. Its IUPAC name is (Z)-N-(4-butylphenyl)-2-cyano-3-(naphthalen-1-ylamino)prop-2-enamide.

Molecular Properties

Compound Name(Z)-N-(4-butylphenyl)-2-cyano-3-(naphthalen-1-ylamino)prop-2-enamide
PubChem CID108828196
Molecular FormulaC24H23N3O
Molecular Weight369.47 g/mol
Exact Mass369.18
IUPAC Name(Z)-N-(4-butylphenyl)-2-cyano-3-(naphthalen-1-ylamino)prop-2-enamide
SMILESCCCCc1ccc(NC(=O)/C(C#N)=C\Nc2cccc3ccccc23)cc1
InChIInChI=1S/C24H23N3O/c1-2-3-7-18-12-14-21(15-13-18)27-24(28)20(16-25)17-26-23-11-6-9-19-8-4-5-10-22(19)23/h4-6,8-15,17,26H,2-3,7H2,1H3,(H,27,28)/b20-17-
InChIKeyJIFTXDWGXAGWIW-JZJYNLBNSA-N
XLogP5.64
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.47
LogP ≤ 55.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(Z)-3-anilino-N-(4-butylphenyl)-2-cyanoprop-2-enamide
CID 108828138
(Z)-N-(4-acetylphenyl)-2-cyano-3-(naphthalen-1-ylamino)prop-2-enamide
CID 108856435
N-(4-butylphenyl)-N'-naphthalen-1-yloxamide
CID 108502463
(Z)-3-(4-anilinoanilino)-N-(4-butylphenyl)-2-cyanoprop-2-enamide
CID 108828170
(Z)-N-butyl-2-cyano-3-(naphthalen-1-ylamino)prop-2-enamide
CID 108833765
(Z)-N-(4-butylphenyl)-2-cyano-3-(2-ethyl-6-methylanilino)prop-2-enamide
CID 108828074
(Z)-N-(4-butylphenyl)-2-cyano-3-(2,4-dimethylanilino)prop-2-enamide
CID 108828093
(Z)-2-cyano-N-(3-methylphenyl)-3-(naphthalen-1-ylamino)prop-2-enamide
CID 108858673
(Z)-3-(4-butylanilino)-2-cyano-N-(3-methylphenyl)prop-2-enamide
CID 108858490
(Z)-N-(4-butylphenyl)-3-[(2-chlorophenyl)methylamino]-2-cyanoprop-2-enamide
CID 108828034
[4-[[(Z)-3-(4-butylanilino)-2-cyano-3-oxoprop-1-enyl]amino]phenyl] thiocyanate
CID 108828193
(Z)-N-(2-chlorophenyl)-2-cyano-3-(naphthalen-1-ylamino)prop-2-enamide
CID 108824467

Frequently Asked Questions

What is the IUPAC name of (Z)-N-(4-butylphenyl)-2-cyano-3-(naphthalen-1-ylamino)prop-2-enamide?
The IUPAC name of (Z)-N-(4-butylphenyl)-2-cyano-3-(naphthalen-1-ylamino)prop-2-enamide (CID 108828196) is (Z)-N-(4-butylphenyl)-2-cyano-3-(naphthalen-1-ylamino)prop-2-enamide.
What is the SMILES notation for (Z)-N-(4-butylphenyl)-2-cyano-3-(naphthalen-1-ylamino)prop-2-enamide?
The canonical SMILES for (Z)-N-(4-butylphenyl)-2-cyano-3-(naphthalen-1-ylamino)prop-2-enamide is CCCCc1ccc(NC(=O)/C(C#N)=C\Nc2cccc3ccccc23)cc1.
What is the InChIKey of (Z)-N-(4-butylphenyl)-2-cyano-3-(naphthalen-1-ylamino)prop-2-enamide?
The InChIKey is JIFTXDWGXAGWIW-JZJYNLBNSA-N. The full InChI is InChI=1S/C24H23N3O/c1-2-3-7-18-12-14-21(15-13-18)27-24(28)20(16-25)17-26-23-11-6-9-19-8-4-5-10-22(19)23/h4-6,8-15,17,26H,2-3,7H2,1H3,(H,27,28)/b20-17-.
What are the key properties of (Z)-N-(4-butylphenyl)-2-cyano-3-(naphthalen-1-ylamino)prop-2-enamide?
(Z)-N-(4-butylphenyl)-2-cyano-3-(naphthalen-1-ylamino)prop-2-enamide has a molecular weight of 369.47 g/mol, XLogP of 5.64, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(4-butylphenyl)-2-cyano-3-(naphthalen-1-ylamino)prop-2-enamide is sourced from PubChem (CID 108828196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).