(E)-2-cyano-3-(2-ethoxyphenyl)-N-[(1R,2R)-2-methylcyclohexyl]prop-2-enamide

C19H24N2O2 — CID 7992313

IUPAC(E)-2-cyano-3-(2-ethoxyphenyl)-N-[(1R,2R)-2-methylcyclohexyl]prop-2-enamide
SMILESCCOc1ccccc1/C=C(\C#N)C(=O)N[C@@H]1CCCC[C@H]1C
InChIInChI=1S/C19H24N2O2/c1-3-23-18-11-7-5-9-15(18)12-16(13-20)19(22)21-17-10-6-4-8-14(17)2/h5,7,9,11-12,14,17H,3-4,6,8,10H2,1-2H3,(H,21,22)/b16-12+/t14-,17-/m1/s1
InChIKeyDQABRAFWARXMCK-QYPACOJMSA-N
MW312.41 g/mol
LogP3.69
Rot. Bonds5

About (E)-2-cyano-3-(2-ethoxyphenyl)-N-[(1R,2R)-2-methylcyclohexyl]prop-2-enamide

(E)-2-cyano-3-(2-ethoxyphenyl)-N-[(1R,2R)-2-methylcyclohexyl]prop-2-enamide (PubChem CID 7992313) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is (E)-2-cyano-3-(2-ethoxyphenyl)-N-[(1R,2R)-2-methylcyclohexyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-2-cyano-3-(2-ethoxyphenyl)-N-[(1R,2R)-2-methylcyclohexyl]prop-2-enamide
PubChem CID7992313
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC Name(E)-2-cyano-3-(2-ethoxyphenyl)-N-[(1R,2R)-2-methylcyclohexyl]prop-2-enamide
SMILESCCOc1ccccc1/C=C(\C#N)C(=O)N[C@@H]1CCCC[C@H]1C
InChIInChI=1S/C19H24N2O2/c1-3-23-18-11-7-5-9-15(18)12-16(13-20)19(22)21-17-10-6-4-8-14(17)2/h5,7,9,11-12,14,17H,3-4,6,8,10H2,1-2H3,(H,21,22)/b16-12+/t14-,17-/m1/s1
InChIKeyDQABRAFWARXMCK-QYPACOJMSA-N
XLogP3.69
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (E)-2-cyano-3-(2-ethoxyphenyl)-N-[(1R,2R)-2-methylcyclohexyl]prop-2-enamide with MolForge

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Related Compounds

(E)-2-cyano-N-cyclohexyl-3-(2-propoxyphenyl)prop-2-enamide
CID 19206616
(E)-2-cyano-N-[(1S,2R)-2-methylcyclohexyl]-3-phenylprop-2-enamide
CID 7515644
2-cyano-5-(2-methoxyphenyl)-N-(2-methylcyclohexyl)penta-2,4-dienamide
CID 3994867
2-[4-[(E)-2-cyano-3-[[(1R,2R)-2-methylcyclohexyl]amino]-3-oxoprop-1-enyl]-2-ethoxyphenoxy]acetic acid
CID 7452833
ethyl 2-[4-[(E)-2-cyano-3-[[(1S,2R)-2-methylcyclohexyl]amino]-3-oxoprop-1-enyl]-2-ethoxyphenoxy]acetate
CID 7452826
(E)-2-cyano-N-[(1R,2S)-2-methylcyclohexyl]-3-(2,4,5-trimethoxyphenyl)prop-2-enamide
CID 8862474
2-[2-[(Z)-2-cyano-3-(cyclopentylamino)-3-oxoprop-1-enyl]phenoxy]acetic acid
CID 56809771
(E)-2-cyano-N-cyclododecyl-3-(2-methoxyphenyl)prop-2-enamide
CID 19175296
2-cyano-3-[3-[2-cyano-3-[(2-methylcyclohexyl)amino]-3-oxoprop-1-enyl]phenyl]-N-(2-methylcyclohexyl)prop-2-enamide
CID 4617152
(E)-3-anthracen-9-yl-2-cyano-N-[(1R,2R)-2-methylcyclohexyl]prop-2-enamide
CID 7275650
(Z)-2-cyano-N-cyclohexyl-3-(2-ethoxy-3-methoxyphenyl)prop-2-enamide
CID 19183852
2-cyano-3-(3-hydroxyphenyl)-N-(2-methylcyclohexyl)prop-2-enamide
CID 3453433

Frequently Asked Questions

What is the IUPAC name of (E)-2-cyano-3-(2-ethoxyphenyl)-N-[(1R,2R)-2-methylcyclohexyl]prop-2-enamide?
The IUPAC name of (E)-2-cyano-3-(2-ethoxyphenyl)-N-[(1R,2R)-2-methylcyclohexyl]prop-2-enamide (CID 7992313) is (E)-2-cyano-3-(2-ethoxyphenyl)-N-[(1R,2R)-2-methylcyclohexyl]prop-2-enamide.
What is the SMILES notation for (E)-2-cyano-3-(2-ethoxyphenyl)-N-[(1R,2R)-2-methylcyclohexyl]prop-2-enamide?
The canonical SMILES for (E)-2-cyano-3-(2-ethoxyphenyl)-N-[(1R,2R)-2-methylcyclohexyl]prop-2-enamide is CCOc1ccccc1/C=C(\C#N)C(=O)N[C@@H]1CCCC[C@H]1C.
What is the InChIKey of (E)-2-cyano-3-(2-ethoxyphenyl)-N-[(1R,2R)-2-methylcyclohexyl]prop-2-enamide?
The InChIKey is DQABRAFWARXMCK-QYPACOJMSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-3-23-18-11-7-5-9-15(18)12-16(13-20)19(22)21-17-10-6-4-8-14(17)2/h5,7,9,11-12,14,17H,3-4,6,8,10H2,1-2H3,(H,21,22)/b16-12+/t14-,17-/m1/s1.
What are the key properties of (E)-2-cyano-3-(2-ethoxyphenyl)-N-[(1R,2R)-2-methylcyclohexyl]prop-2-enamide?
(E)-2-cyano-3-(2-ethoxyphenyl)-N-[(1R,2R)-2-methylcyclohexyl]prop-2-enamide has a molecular weight of 312.41 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-cyano-3-(2-ethoxyphenyl)-N-[(1R,2R)-2-methylcyclohexyl]prop-2-enamide is sourced from PubChem (CID 7992313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).