(E)-2-cyano-N-cyclohexyl-3-(2-propoxyphenyl)prop-2-enamide

C19H24N2O2 — CID 19206616

IUPAC(E)-2-cyano-N-cyclohexyl-3-(2-propoxyphenyl)prop-2-enamide
SMILESCCCOc1ccccc1/C=C(\C#N)C(=O)NC1CCCCC1
InChIInChI=1S/C19H24N2O2/c1-2-12-23-18-11-7-6-8-15(18)13-16(14-20)19(22)21-17-9-4-3-5-10-17/h6-8,11,13,17H,2-5,9-10,12H2,1H3,(H,21,22)/b16-13+
InChIKeyCLOFWROMHYLPPD-DTQAZKPQSA-N
MW312.41 g/mol
LogP3.83
Rot. Bonds6

About (E)-2-cyano-N-cyclohexyl-3-(2-propoxyphenyl)prop-2-enamide

(E)-2-cyano-N-cyclohexyl-3-(2-propoxyphenyl)prop-2-enamide (PubChem CID 19206616) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is (E)-2-cyano-N-cyclohexyl-3-(2-propoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-2-cyano-N-cyclohexyl-3-(2-propoxyphenyl)prop-2-enamide
PubChem CID19206616
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC Name(E)-2-cyano-N-cyclohexyl-3-(2-propoxyphenyl)prop-2-enamide
SMILESCCCOc1ccccc1/C=C(\C#N)C(=O)NC1CCCCC1
InChIInChI=1S/C19H24N2O2/c1-2-12-23-18-11-7-6-8-15(18)13-16(14-20)19(22)21-17-9-4-3-5-10-17/h6-8,11,13,17H,2-5,9-10,12H2,1H3,(H,21,22)/b16-13+
InChIKeyCLOFWROMHYLPPD-DTQAZKPQSA-N
XLogP3.83
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 53.83
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'}

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Related Compounds

(E)-2-cyano-N-cyclododecyl-3-(2-methoxyphenyl)prop-2-enamide
CID 19175296
2-[2-[(Z)-2-cyano-3-(cyclopentylamino)-3-oxoprop-1-enyl]phenoxy]acetic acid
CID 56809771
cyclohexyl 4-[[(E)-2-cyano-3-(2-propoxyphenyl)prop-2-enoyl]amino]benzoate
CID 19206667
(E)-2-cyano-N-cyclohexyl-3-[2-(naphthalen-1-ylmethoxy)phenyl]prop-2-enamide
CID 6014897
(Z)-2-cyano-N-cyclohexyl-3-(2-ethoxy-3-methoxyphenyl)prop-2-enamide
CID 19183852
(Z)-2-cyano-N-cyclopentyl-3-[2-[(4-iodophenyl)methoxy]phenyl]prop-2-enamide
CID 126197199
(E)-2-cyano-3-(2-ethoxyphenyl)-N-[(1R,2R)-2-methylcyclohexyl]prop-2-enamide
CID 7992313
2-cyano-N-cyclopentyl-3-(4-propoxyphenyl)prop-2-enamide
CID 5123323
(Z)-2-cyano-N-cyclopentyl-3-(2-fluorophenyl)prop-2-enamide
CID 51322190
(E)-N-butan-2-yl-2-cyano-3-(2-propoxyphenyl)prop-2-enamide
CID 19206765
(E)-N-benzyl-2-cyano-3-(2-propoxyphenyl)prop-2-enamide
CID 19206673
2-cyano-3-(2-propoxyphenyl)prop-2-enoate
CID 3287238

Frequently Asked Questions

What is the IUPAC name of (E)-2-cyano-N-cyclohexyl-3-(2-propoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-2-cyano-N-cyclohexyl-3-(2-propoxyphenyl)prop-2-enamide (CID 19206616) is (E)-2-cyano-N-cyclohexyl-3-(2-propoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-2-cyano-N-cyclohexyl-3-(2-propoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-2-cyano-N-cyclohexyl-3-(2-propoxyphenyl)prop-2-enamide is CCCOc1ccccc1/C=C(\C#N)C(=O)NC1CCCCC1.
What is the InChIKey of (E)-2-cyano-N-cyclohexyl-3-(2-propoxyphenyl)prop-2-enamide?
The InChIKey is CLOFWROMHYLPPD-DTQAZKPQSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-2-12-23-18-11-7-6-8-15(18)13-16(14-20)19(22)21-17-9-4-3-5-10-17/h6-8,11,13,17H,2-5,9-10,12H2,1H3,(H,21,22)/b16-13+.
What are the key properties of (E)-2-cyano-N-cyclohexyl-3-(2-propoxyphenyl)prop-2-enamide?
(E)-2-cyano-N-cyclohexyl-3-(2-propoxyphenyl)prop-2-enamide has a molecular weight of 312.41 g/mol, XLogP of 3.83, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-cyano-N-cyclohexyl-3-(2-propoxyphenyl)prop-2-enamide is sourced from PubChem (CID 19206616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).