(Z)-2-cyano-N-[(4-methoxyphenyl)methyl]-3-[(2-methylcyclohexyl)amino]prop-2-enamide

C19H25N3O2 — CID 108840798

IUPAC(Z)-2-cyano-N-[(4-methoxyphenyl)methyl]-3-[(2-methylcyclohexyl)amino]prop-2-enamide
SMILESCOc1ccc(CNC(=O)/C(C#N)=C\NC2CCCCC2C)cc1
InChIInChI=1S/C19H25N3O2/c1-14-5-3-4-6-18(14)21-13-16(11-20)19(23)22-12-15-7-9-17(24-2)10-8-15/h7-10,13-14,18,21H,3-6,12H2,1-2H3,(H,22,23)/b16-13-
InChIKeyFPSGRPRQTQZYFB-SSZFMOIBSA-N
MW327.43 g/mol
LogP2.89
Rot. Bonds6

About (Z)-2-cyano-N-[(4-methoxyphenyl)methyl]-3-[(2-methylcyclohexyl)amino]prop-2-enamide

(Z)-2-cyano-N-[(4-methoxyphenyl)methyl]-3-[(2-methylcyclohexyl)amino]prop-2-enamide (PubChem CID 108840798) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is (Z)-2-cyano-N-[(4-methoxyphenyl)methyl]-3-[(2-methylcyclohexyl)amino]prop-2-enamide.

Molecular Properties

Compound Name(Z)-2-cyano-N-[(4-methoxyphenyl)methyl]-3-[(2-methylcyclohexyl)amino]prop-2-enamide
PubChem CID108840798
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name(Z)-2-cyano-N-[(4-methoxyphenyl)methyl]-3-[(2-methylcyclohexyl)amino]prop-2-enamide
SMILESCOc1ccc(CNC(=O)/C(C#N)=C\NC2CCCCC2C)cc1
InChIInChI=1S/C19H25N3O2/c1-14-5-3-4-6-18(14)21-13-16(11-20)19(23)22-12-15-7-9-17(24-2)10-8-15/h7-10,13-14,18,21H,3-6,12H2,1-2H3,(H,22,23)/b16-13-
InChIKeyFPSGRPRQTQZYFB-SSZFMOIBSA-N
XLogP2.89
TPSA74.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.89
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'}

Analyze (Z)-2-cyano-N-[(4-methoxyphenyl)methyl]-3-[(2-methylcyclohexyl)amino]prop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(Z)-2-cyano-3-(cycloheptylamino)-N-[(4-methoxyphenyl)methyl]prop-2-enamide
CID 108840865
(Z)-2-cyano-N-[(4-methoxyphenyl)methyl]-3-(4-methylpiperidin-1-yl)prop-2-enamide
CID 108840661
(Z)-2-cyano-3-(2-hydroxyethylamino)-N-[(4-methoxyphenyl)methyl]prop-2-enamide
CID 108840827
(Z)-2-cyano-3-(2-hydroxyanilino)-N-[(4-methoxyphenyl)methyl]prop-2-enamide
CID 108840720
(Z)-2-cyano-N-[1-(4-ethylphenyl)ethyl]-3-[(2-methylcyclohexyl)amino]prop-2-enamide
CID 108848582
(Z)-2-cyano-N-[(4-methoxyphenyl)methyl]-3-(2,4,6-trimethylanilino)prop-2-enamide
CID 108840711
(Z)-2-cyano-N-[(4-methoxyphenyl)methyl]-3-(4-piperidin-1-ylanilino)prop-2-enamide
CID 108840824
(Z)-2-cyano-3-(2-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]prop-2-enamide
CID 124626592
(Z)-2-cyano-3-(furan-2-ylmethylamino)-N-[(4-methoxyphenyl)methyl]prop-2-enamide
CID 108840740
(Z)-2-cyano-3-[(5-hydroxynaphthalen-1-yl)amino]-N-[(4-methoxyphenyl)methyl]prop-2-enamide
CID 108840690
(E)-2-cyano-N-[(4-methoxyphenyl)methyl]-3-(4-methylphenyl)prop-2-enamide
CID 31935276
(Z)-2-cyano-N-cyclododecyl-3-[(2-methylcyclohexyl)amino]prop-2-enamide
CID 108862697

Frequently Asked Questions

What is the IUPAC name of (Z)-2-cyano-N-[(4-methoxyphenyl)methyl]-3-[(2-methylcyclohexyl)amino]prop-2-enamide?
The IUPAC name of (Z)-2-cyano-N-[(4-methoxyphenyl)methyl]-3-[(2-methylcyclohexyl)amino]prop-2-enamide (CID 108840798) is (Z)-2-cyano-N-[(4-methoxyphenyl)methyl]-3-[(2-methylcyclohexyl)amino]prop-2-enamide.
What is the SMILES notation for (Z)-2-cyano-N-[(4-methoxyphenyl)methyl]-3-[(2-methylcyclohexyl)amino]prop-2-enamide?
The canonical SMILES for (Z)-2-cyano-N-[(4-methoxyphenyl)methyl]-3-[(2-methylcyclohexyl)amino]prop-2-enamide is COc1ccc(CNC(=O)/C(C#N)=C\NC2CCCCC2C)cc1.
What is the InChIKey of (Z)-2-cyano-N-[(4-methoxyphenyl)methyl]-3-[(2-methylcyclohexyl)amino]prop-2-enamide?
The InChIKey is FPSGRPRQTQZYFB-SSZFMOIBSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-14-5-3-4-6-18(14)21-13-16(11-20)19(23)22-12-15-7-9-17(24-2)10-8-15/h7-10,13-14,18,21H,3-6,12H2,1-2H3,(H,22,23)/b16-13-.
What are the key properties of (Z)-2-cyano-N-[(4-methoxyphenyl)methyl]-3-[(2-methylcyclohexyl)amino]prop-2-enamide?
(Z)-2-cyano-N-[(4-methoxyphenyl)methyl]-3-[(2-methylcyclohexyl)amino]prop-2-enamide has a molecular weight of 327.43 g/mol, XLogP of 2.89, 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-[(4-methoxyphenyl)methyl]-3-[(2-methylcyclohexyl)amino]prop-2-enamide is sourced from PubChem (CID 108840798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).