(Z)-2-cyano-N-(2-methoxyphenyl)-3-(1-phenylethylamino)prop-2-enamide

C19H19N3O2 — CID 108820961

IUPAC(Z)-2-cyano-N-(2-methoxyphenyl)-3-(1-phenylethylamino)prop-2-enamide
SMILESCOc1ccccc1NC(=O)/C(C#N)=C\NC(C)c1ccccc1
InChIInChI=1S/C19H19N3O2/c1-14(15-8-4-3-5-9-15)21-13-16(12-20)19(23)22-17-10-6-7-11-18(17)24-2/h3-11,13-14,21H,1-2H3,(H,22,23)/b16-13-
InChIKeyAQFVBVMVJUORED-SSZFMOIBSA-N
MW321.38 g/mol
LogP3.39
Rot. Bonds6

About (Z)-2-cyano-N-(2-methoxyphenyl)-3-(1-phenylethylamino)prop-2-enamide

(Z)-2-cyano-N-(2-methoxyphenyl)-3-(1-phenylethylamino)prop-2-enamide (PubChem CID 108820961) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is (Z)-2-cyano-N-(2-methoxyphenyl)-3-(1-phenylethylamino)prop-2-enamide.

Molecular Properties

Compound Name(Z)-2-cyano-N-(2-methoxyphenyl)-3-(1-phenylethylamino)prop-2-enamide
PubChem CID108820961
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC Name(Z)-2-cyano-N-(2-methoxyphenyl)-3-(1-phenylethylamino)prop-2-enamide
SMILESCOc1ccccc1NC(=O)/C(C#N)=C\NC(C)c1ccccc1
InChIInChI=1S/C19H19N3O2/c1-14(15-8-4-3-5-9-15)21-13-16(12-20)19(23)22-17-10-6-7-11-18(17)24-2/h3-11,13-14,21H,1-2H3,(H,22,23)/b16-13-
InChIKeyAQFVBVMVJUORED-SSZFMOIBSA-N
XLogP3.39
TPSA74.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.39
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-3-[1-(4-ethylphenyl)ethylamino]-N-(2-methoxyphenyl)prop-2-enamide
CID 108820984
(Z)-N-(2-chlorophenyl)-2-cyano-3-(1-phenylethylamino)prop-2-enamide
CID 108824317
(Z)-2-cyano-N-(2-nitrophenyl)-3-(1-phenylethylamino)prop-2-enamide
CID 108816487
(Z)-2-cyano-3-(cyclopropylamino)-N-(2-methoxyphenyl)prop-2-enamide
CID 108821163
(Z)-3-(benzylamino)-2-cyano-N-(2-methoxyphenyl)prop-2-enamide
CID 108820967
(Z)-2-cyano-N-(4-methylphenyl)-3-(1-phenylethylamino)prop-2-enamide
CID 108817232
methyl 2-[[(Z)-2-cyano-3-[1-(4-ethylphenyl)ethylamino]prop-2-enoyl]amino]benzoate
CID 108851468
(Z)-2-cyano-N-(2-methoxy-4-nitrophenyl)-3-[1-(4-methoxyphenyl)ethylamino]prop-2-enamide
CID 108852574
(Z)-2-cyano-3-(2,6-difluoroanilino)-N-(2-methoxyphenyl)prop-2-enamide
CID 108821058
(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
(E)-2-cyano-N,3-bis(2-methoxyphenyl)prop-2-enamide
CID 2713805

Frequently Asked Questions

What is the IUPAC name of (Z)-2-cyano-N-(2-methoxyphenyl)-3-(1-phenylethylamino)prop-2-enamide?
The IUPAC name of (Z)-2-cyano-N-(2-methoxyphenyl)-3-(1-phenylethylamino)prop-2-enamide (CID 108820961) is (Z)-2-cyano-N-(2-methoxyphenyl)-3-(1-phenylethylamino)prop-2-enamide.
What is the SMILES notation for (Z)-2-cyano-N-(2-methoxyphenyl)-3-(1-phenylethylamino)prop-2-enamide?
The canonical SMILES for (Z)-2-cyano-N-(2-methoxyphenyl)-3-(1-phenylethylamino)prop-2-enamide is COc1ccccc1NC(=O)/C(C#N)=C\NC(C)c1ccccc1.
What is the InChIKey of (Z)-2-cyano-N-(2-methoxyphenyl)-3-(1-phenylethylamino)prop-2-enamide?
The InChIKey is AQFVBVMVJUORED-SSZFMOIBSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-14(15-8-4-3-5-9-15)21-13-16(12-20)19(23)22-17-10-6-7-11-18(17)24-2/h3-11,13-14,21H,1-2H3,(H,22,23)/b16-13-.
What are the key properties of (Z)-2-cyano-N-(2-methoxyphenyl)-3-(1-phenylethylamino)prop-2-enamide?
(Z)-2-cyano-N-(2-methoxyphenyl)-3-(1-phenylethylamino)prop-2-enamide has a molecular weight of 321.38 g/mol, XLogP of 3.39, 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-methoxyphenyl)-3-(1-phenylethylamino)prop-2-enamide is sourced from PubChem (CID 108820961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).