(Z)-2-cyano-3-(3-methoxyanilino)-N-(2-methylphenyl)prop-2-enamide

C18H17N3O2 — CID 108821409

IUPAC(Z)-2-cyano-3-(3-methoxyanilino)-N-(2-methylphenyl)prop-2-enamide
SMILESCOc1cccc(N/C=C(/C#N)C(=O)Nc2ccccc2C)c1
InChIInChI=1S/C18H17N3O2/c1-13-6-3-4-9-17(13)21-18(22)14(11-19)12-20-15-7-5-8-16(10-15)23-2/h3-10,12,20H,1-2H3,(H,21,22)/b14-12-
InChIKeyBBWWINALRBIMGB-OWBHPGMISA-N
MW307.35 g/mol
LogP3.46
Rot. Bonds5

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

(Z)-2-cyano-3-(3-methoxyanilino)-N-(2-methylphenyl)prop-2-enamide (PubChem CID 108821409) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is (Z)-2-cyano-3-(3-methoxyanilino)-N-(2-methylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-2-cyano-3-(3-methoxyanilino)-N-(2-methylphenyl)prop-2-enamide
PubChem CID108821409
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC Name(Z)-2-cyano-3-(3-methoxyanilino)-N-(2-methylphenyl)prop-2-enamide
SMILESCOc1cccc(N/C=C(/C#N)C(=O)Nc2ccccc2C)c1
InChIInChI=1S/C18H17N3O2/c1-13-6-3-4-9-17(13)21-18(22)14(11-19)12-20-15-7-5-8-16(10-15)23-2/h3-10,12,20H,1-2H3,(H,21,22)/b14-12-
InChIKeyBBWWINALRBIMGB-OWBHPGMISA-N
XLogP3.46
TPSA74.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-N-(5-hydroxynaphthalen-1-yl)-3-(3-methoxyanilino)prop-2-enamide
CID 108842945
(Z)-2-cyano-N-(2-methylphenyl)-3-(naphthalen-2-ylamino)prop-2-enamide
CID 108821488
(Z)-3-(3-bromoanilino)-2-cyano-N-(2-methoxyphenyl)prop-2-enamide
CID 108821129
(Z)-3-(3-chloroanilino)-2-cyano-N-(2-methoxyphenyl)prop-2-enamide
CID 108821016
(E)-N-benzyl-2-cyano-3-(3-methoxyanilino)prop-2-enamide
CID 7459691
(Z)-2-cyano-3-(2,4-difluoroanilino)-N-(2-methylphenyl)prop-2-enamide
CID 108821585
(Z)-2-cyano-3-(3,5-dimethylanilino)-N-(2-methoxyphenyl)prop-2-enamide
CID 108821154
(Z)-2-cyano-3-(3,4-dimethoxyanilino)-N-(2-methoxyphenyl)prop-2-enamide
CID 108820894
(Z)-N-(2-chloroethyl)-2-cyano-3-(3-methoxyanilino)prop-2-enamide
CID 108854494
(Z)-3-(4-chloro-2-methoxy-5-methylanilino)-2-cyano-N-(2-methylphenyl)prop-2-enamide
CID 108821564
(Z)-3-(3-chloroanilino)-2-cyano-N-(4-methoxyphenyl)prop-2-enamide
CID 108828471
3-[[(Z)-2-cyano-3-(2-methoxycarbonylanilino)-3-oxoprop-1-enyl]amino]benzoic acid
CID 108851381

Frequently Asked Questions

What is the IUPAC name of (Z)-2-cyano-3-(3-methoxyanilino)-N-(2-methylphenyl)prop-2-enamide?
The IUPAC name of (Z)-2-cyano-3-(3-methoxyanilino)-N-(2-methylphenyl)prop-2-enamide (CID 108821409) is (Z)-2-cyano-3-(3-methoxyanilino)-N-(2-methylphenyl)prop-2-enamide.
What is the SMILES notation for (Z)-2-cyano-3-(3-methoxyanilino)-N-(2-methylphenyl)prop-2-enamide?
The canonical SMILES for (Z)-2-cyano-3-(3-methoxyanilino)-N-(2-methylphenyl)prop-2-enamide is COc1cccc(N/C=C(/C#N)C(=O)Nc2ccccc2C)c1.
What is the InChIKey of (Z)-2-cyano-3-(3-methoxyanilino)-N-(2-methylphenyl)prop-2-enamide?
The InChIKey is BBWWINALRBIMGB-OWBHPGMISA-N. The full InChI is InChI=1S/C18H17N3O2/c1-13-6-3-4-9-17(13)21-18(22)14(11-19)12-20-15-7-5-8-16(10-15)23-2/h3-10,12,20H,1-2H3,(H,21,22)/b14-12-.
What are the key properties of (Z)-2-cyano-3-(3-methoxyanilino)-N-(2-methylphenyl)prop-2-enamide?
(Z)-2-cyano-3-(3-methoxyanilino)-N-(2-methylphenyl)prop-2-enamide has a molecular weight of 307.35 g/mol, XLogP of 3.46, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-cyano-3-(3-methoxyanilino)-N-(2-methylphenyl)prop-2-enamide is sourced from PubChem (CID 108821409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).