(Z)-2-cyano-N-(2-methoxyethyl)-3-(4-methylanilino)prop-2-enamide

C14H17N3O2 — CID 108833181

IUPAC(Z)-2-cyano-N-(2-methoxyethyl)-3-(4-methylanilino)prop-2-enamide
SMILESCOCCNC(=O)/C(C#N)=C\Nc1ccc(C)cc1
InChIInChI=1S/C14H17N3O2/c1-11-3-5-13(6-4-11)17-10-12(9-15)14(18)16-7-8-19-2/h3-6,10,17H,7-8H2,1-2H3,(H,16,18)/b12-10-
InChIKeyPBFVAHKIYDIGFT-BENRWUELSA-N
MW259.31 g/mol
LogP1.58
Rot. Bonds6

About (Z)-2-cyano-N-(2-methoxyethyl)-3-(4-methylanilino)prop-2-enamide

(Z)-2-cyano-N-(2-methoxyethyl)-3-(4-methylanilino)prop-2-enamide (PubChem CID 108833181) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is (Z)-2-cyano-N-(2-methoxyethyl)-3-(4-methylanilino)prop-2-enamide.

Molecular Properties

Compound Name(Z)-2-cyano-N-(2-methoxyethyl)-3-(4-methylanilino)prop-2-enamide
PubChem CID108833181
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name(Z)-2-cyano-N-(2-methoxyethyl)-3-(4-methylanilino)prop-2-enamide
SMILESCOCCNC(=O)/C(C#N)=C\Nc1ccc(C)cc1
InChIInChI=1S/C14H17N3O2/c1-11-3-5-13(6-4-11)17-10-12(9-15)14(18)16-7-8-19-2/h3-6,10,17H,7-8H2,1-2H3,(H,16,18)/b12-10-
InChIKeyPBFVAHKIYDIGFT-BENRWUELSA-N
XLogP1.58
TPSA74.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

(Z)-2-cyano-N-(2-methoxyethyl)-3-[(4-methylphenyl)methylamino]prop-2-enamide
CID 108833308
(Z)-3-(2-bromo-4-methylanilino)-2-cyano-N-(2-methoxyethyl)prop-2-enamide
CID 108833479
(Z)-2-cyano-N-(2-methoxyethyl)-3-(pyridin-3-ylamino)prop-2-enamide
CID 108833372
(Z)-3-(3-acetylanilino)-2-cyano-N-(2-methoxyethyl)prop-2-enamide
CID 108833287
(Z)-2-cyano-N-[2-(4-hydroxyphenyl)ethyl]-3-(4-methylanilino)prop-2-enamide
CID 108829092
(Z)-2-cyano-3-(2,3-dimethylanilino)-N-(2-methoxyethyl)prop-2-enamide
CID 108833289
methyl 2-cyano-3-(4-methylanilino)prop-2-enoate
CID 73370229
methyl (Z)-2-cyano-3-(4-methylanilino)prop-2-enoate
CID 19628992
(Z)-2-cyano-3-(2,5-dimethylanilino)-N-(3-methoxypropyl)prop-2-enamide
CID 108836770
(Z)-2-cyano-3-(2-fluoroanilino)-N-(2-methoxyethyl)prop-2-enamide
CID 108833327
(Z)-2-cyano-3-(2,4-dimethylanilino)-N-(3-methoxypropyl)prop-2-enamide
CID 108836628
(Z)-2-cyano-3-(3,4-dimethoxyanilino)-N-(3-methoxypropyl)prop-2-enamide
CID 108836513

Frequently Asked Questions

What is the IUPAC name of (Z)-2-cyano-N-(2-methoxyethyl)-3-(4-methylanilino)prop-2-enamide?
The IUPAC name of (Z)-2-cyano-N-(2-methoxyethyl)-3-(4-methylanilino)prop-2-enamide (CID 108833181) is (Z)-2-cyano-N-(2-methoxyethyl)-3-(4-methylanilino)prop-2-enamide.
What is the SMILES notation for (Z)-2-cyano-N-(2-methoxyethyl)-3-(4-methylanilino)prop-2-enamide?
The canonical SMILES for (Z)-2-cyano-N-(2-methoxyethyl)-3-(4-methylanilino)prop-2-enamide is COCCNC(=O)/C(C#N)=C\Nc1ccc(C)cc1.
What is the InChIKey of (Z)-2-cyano-N-(2-methoxyethyl)-3-(4-methylanilino)prop-2-enamide?
The InChIKey is PBFVAHKIYDIGFT-BENRWUELSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-11-3-5-13(6-4-11)17-10-12(9-15)14(18)16-7-8-19-2/h3-6,10,17H,7-8H2,1-2H3,(H,16,18)/b12-10-.
What are the key properties of (Z)-2-cyano-N-(2-methoxyethyl)-3-(4-methylanilino)prop-2-enamide?
(Z)-2-cyano-N-(2-methoxyethyl)-3-(4-methylanilino)prop-2-enamide has a molecular weight of 259.31 g/mol, XLogP of 1.58, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-cyano-N-(2-methoxyethyl)-3-(4-methylanilino)prop-2-enamide is sourced from PubChem (CID 108833181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).