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

C21H17N3O — CID 108821488

IUPAC(Z)-2-cyano-N-(2-methylphenyl)-3-(naphthalen-2-ylamino)prop-2-enamide
SMILESCc1ccccc1NC(=O)/C(C#N)=C\Nc1ccc2ccccc2c1
InChIInChI=1S/C21H17N3O/c1-15-6-2-5-9-20(15)24-21(25)18(13-22)14-23-19-11-10-16-7-3-4-8-17(16)12-19/h2-12,14,23H,1H3,(H,24,25)/b18-14-
InChIKeyOMGDEONXSYTVGM-JXAWBTAJSA-N
MW327.39 g/mol
LogP4.61
Rot. Bonds4

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

(Z)-2-cyano-N-(2-methylphenyl)-3-(naphthalen-2-ylamino)prop-2-enamide (PubChem CID 108821488) has the molecular formula C21H17N3O and a molecular weight of 327.39 g/mol. Its IUPAC name is (Z)-2-cyano-N-(2-methylphenyl)-3-(naphthalen-2-ylamino)prop-2-enamide.

Molecular Properties

Compound Name(Z)-2-cyano-N-(2-methylphenyl)-3-(naphthalen-2-ylamino)prop-2-enamide
PubChem CID108821488
Molecular FormulaC21H17N3O
Molecular Weight327.39 g/mol
Exact Mass327.14
IUPAC Name(Z)-2-cyano-N-(2-methylphenyl)-3-(naphthalen-2-ylamino)prop-2-enamide
SMILESCc1ccccc1NC(=O)/C(C#N)=C\Nc1ccc2ccccc2c1
InChIInChI=1S/C21H17N3O/c1-15-6-2-5-9-20(15)24-21(25)18(13-22)14-23-19-11-10-16-7-3-4-8-17(16)12-19/h2-12,14,23H,1H3,(H,24,25)/b18-14-
InChIKeyOMGDEONXSYTVGM-JXAWBTAJSA-N
XLogP4.61
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 54.61
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)-2-cyano-3-(3-methoxyanilino)-N-(2-methylphenyl)prop-2-enamide
CID 108821409
(Z)-N-(4-aminophenyl)-2-cyano-3-(naphthalen-2-ylamino)prop-2-enamide
CID 108818132
(Z)-N-(5-chloro-2-methoxyphenyl)-2-cyano-3-(naphthalen-2-ylamino)prop-2-enamide
CID 108827826
(Z)-2-cyano-3-(2,4-difluoroanilino)-N-(2-methylphenyl)prop-2-enamide
CID 108821585
(Z)-3-(4-bromo-3-methylanilino)-2-cyano-N-(2-hydroxyphenyl)prop-2-enamide
CID 108855404
(Z)-2-cyano-N-(2-methoxy-4-nitrophenyl)-3-(naphthalen-2-ylamino)prop-2-enamide
CID 108852708
(Z)-2-cyano-3-(3,4-dichloroanilino)-N-(2,3-dimethylphenyl)prop-2-enamide
CID 108857354
(Z)-2-cyano-3-(2-methylanilino)-N-(2-propan-2-ylphenyl)prop-2-enamide
CID 108824639
(Z)-3-(2-amino-4-methylanilino)-2-cyano-N-(2-methylphenyl)prop-2-enamide
CID 108821583
(Z)-2-cyano-N-(2-methylphenyl)-3-[(4-methyl-2-pyridinyl)amino]prop-2-enamide
CID 108821570
(Z)-2-cyano-3-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-N-(2-methylphenyl)prop-2-enamide
CID 108821507
(Z)-3-(4-bromoanilino)-2-cyano-N-(2,3-dimethylphenyl)prop-2-enamide
CID 108857338

Frequently Asked Questions

What is the IUPAC name of (Z)-2-cyano-N-(2-methylphenyl)-3-(naphthalen-2-ylamino)prop-2-enamide?
The IUPAC name of (Z)-2-cyano-N-(2-methylphenyl)-3-(naphthalen-2-ylamino)prop-2-enamide (CID 108821488) is (Z)-2-cyano-N-(2-methylphenyl)-3-(naphthalen-2-ylamino)prop-2-enamide.
What is the SMILES notation for (Z)-2-cyano-N-(2-methylphenyl)-3-(naphthalen-2-ylamino)prop-2-enamide?
The canonical SMILES for (Z)-2-cyano-N-(2-methylphenyl)-3-(naphthalen-2-ylamino)prop-2-enamide is Cc1ccccc1NC(=O)/C(C#N)=C\Nc1ccc2ccccc2c1.
What is the InChIKey of (Z)-2-cyano-N-(2-methylphenyl)-3-(naphthalen-2-ylamino)prop-2-enamide?
The InChIKey is OMGDEONXSYTVGM-JXAWBTAJSA-N. The full InChI is InChI=1S/C21H17N3O/c1-15-6-2-5-9-20(15)24-21(25)18(13-22)14-23-19-11-10-16-7-3-4-8-17(16)12-19/h2-12,14,23H,1H3,(H,24,25)/b18-14-.
What are the key properties of (Z)-2-cyano-N-(2-methylphenyl)-3-(naphthalen-2-ylamino)prop-2-enamide?
(Z)-2-cyano-N-(2-methylphenyl)-3-(naphthalen-2-ylamino)prop-2-enamide has a molecular weight of 327.39 g/mol, XLogP of 4.61, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-cyano-N-(2-methylphenyl)-3-(naphthalen-2-ylamino)prop-2-enamide is sourced from PubChem (CID 108821488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).