(Z)-2-cyano-N-cyclopentyl-3-[2-(3-methoxyphenyl)ethylamino]prop-2-enamide

C18H23N3O2 — CID 108835739

IUPAC(Z)-2-cyano-N-cyclopentyl-3-[2-(3-methoxyphenyl)ethylamino]prop-2-enamide
SMILESCOc1cccc(CCN/C=C(/C#N)C(=O)NC2CCCC2)c1
InChIInChI=1S/C18H23N3O2/c1-23-17-8-4-5-14(11-17)9-10-20-13-15(12-19)18(22)21-16-6-2-3-7-16/h4-5,8,11,13,16,20H,2-3,6-7,9-10H2,1H3,(H,21,22)/b15-13-
InChIKeyJZQXWZDSJDXJPL-SQFISAMPSA-N
MW313.40 g/mol
LogP2.29
Rot. Bonds7

About (Z)-2-cyano-N-cyclopentyl-3-[2-(3-methoxyphenyl)ethylamino]prop-2-enamide

(Z)-2-cyano-N-cyclopentyl-3-[2-(3-methoxyphenyl)ethylamino]prop-2-enamide (PubChem CID 108835739) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is (Z)-2-cyano-N-cyclopentyl-3-[2-(3-methoxyphenyl)ethylamino]prop-2-enamide.

Molecular Properties

Compound Name(Z)-2-cyano-N-cyclopentyl-3-[2-(3-methoxyphenyl)ethylamino]prop-2-enamide
PubChem CID108835739
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name(Z)-2-cyano-N-cyclopentyl-3-[2-(3-methoxyphenyl)ethylamino]prop-2-enamide
SMILESCOc1cccc(CCN/C=C(/C#N)C(=O)NC2CCCC2)c1
InChIInChI=1S/C18H23N3O2/c1-23-17-8-4-5-14(11-17)9-10-20-13-15(12-19)18(22)21-16-6-2-3-7-16/h4-5,8,11,13,16,20H,2-3,6-7,9-10H2,1H3,(H,21,22)/b15-13-
InChIKeyJZQXWZDSJDXJPL-SQFISAMPSA-N
XLogP2.29
TPSA74.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.29
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-cyclododecyl-3-[2-(3-methylphenyl)ethylamino]prop-2-enamide
CID 108862853
(Z)-2-cyano-3-[2-(3-methoxyphenyl)ethylamino]-N-[(4-methoxyphenyl)methyl]prop-2-enamide
CID 108840948
(Z)-N-(4-acetylphenyl)-2-cyano-3-[2-(3-methoxyphenyl)ethylamino]prop-2-enamide
CID 108856562
(Z)-N-[1-(1-adamantyl)ethyl]-2-cyano-3-[2-(3-methoxyphenyl)ethylamino]prop-2-enamide
CID 108842775
(Z)-N-(3-chloro-2-methylphenyl)-2-cyano-3-[2-(3-methoxyphenyl)ethylamino]prop-2-enamide
CID 108823850
(Z)-3-[2-(2-chlorophenyl)ethylamino]-2-cyano-N-cyclohexylprop-2-enamide
CID 108831657
(Z)-2-cyano-N-cyclopentyl-3-[(2-methoxyphenyl)methylamino]prop-2-enamide
CID 108835664
butyl 2-[[(Z)-2-cyano-3-[2-(3-methoxyphenyl)ethylamino]prop-2-enoyl]amino]benzoate
CID 108856189
(E)-2-cyano-N-cyclopropyl-3-(3-methoxyphenyl)prop-2-enamide
CID 35746506
4-N-cycloheptyl-1-N-[2-(3-methoxyphenyl)ethyl]benzene-1,4-dicarboxamide
CID 109048043
(Z)-2-cyano-3-[2-(3-fluorophenyl)ethylamino]-N-[2-(4-methoxyphenyl)ethyl]prop-2-enamide
CID 108839097
N-cyclohexyl-2-(3-methoxyphenyl)acetamide
CID 16618770

Frequently Asked Questions

What is the IUPAC name of (Z)-2-cyano-N-cyclopentyl-3-[2-(3-methoxyphenyl)ethylamino]prop-2-enamide?
The IUPAC name of (Z)-2-cyano-N-cyclopentyl-3-[2-(3-methoxyphenyl)ethylamino]prop-2-enamide (CID 108835739) is (Z)-2-cyano-N-cyclopentyl-3-[2-(3-methoxyphenyl)ethylamino]prop-2-enamide.
What is the SMILES notation for (Z)-2-cyano-N-cyclopentyl-3-[2-(3-methoxyphenyl)ethylamino]prop-2-enamide?
The canonical SMILES for (Z)-2-cyano-N-cyclopentyl-3-[2-(3-methoxyphenyl)ethylamino]prop-2-enamide is COc1cccc(CCN/C=C(/C#N)C(=O)NC2CCCC2)c1.
What is the InChIKey of (Z)-2-cyano-N-cyclopentyl-3-[2-(3-methoxyphenyl)ethylamino]prop-2-enamide?
The InChIKey is JZQXWZDSJDXJPL-SQFISAMPSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-23-17-8-4-5-14(11-17)9-10-20-13-15(12-19)18(22)21-16-6-2-3-7-16/h4-5,8,11,13,16,20H,2-3,6-7,9-10H2,1H3,(H,21,22)/b15-13-.
What are the key properties of (Z)-2-cyano-N-cyclopentyl-3-[2-(3-methoxyphenyl)ethylamino]prop-2-enamide?
(Z)-2-cyano-N-cyclopentyl-3-[2-(3-methoxyphenyl)ethylamino]prop-2-enamide has a molecular weight of 313.40 g/mol, XLogP of 2.29, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-cyano-N-cyclopentyl-3-[2-(3-methoxyphenyl)ethylamino]prop-2-enamide is sourced from PubChem (CID 108835739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).