(E)-2-cyano-N-cyclohexyl-3-[2-(naphthalen-1-ylmethoxy)phenyl]prop-2-enamide

C27H26N2O2 — CID 6014897

IUPAC(E)-2-cyano-N-cyclohexyl-3-[2-(naphthalen-1-ylmethoxy)phenyl]prop-2-enamide
SMILESN#C/C(=C\c1ccccc1OCc1cccc2ccccc12)C(=O)NC1CCCCC1
InChIInChI=1S/C27H26N2O2/c28-18-23(27(30)29-24-13-2-1-3-14-24)17-21-10-5-7-16-26(21)31-19-22-12-8-11-20-9-4-6-15-25(20)22/h4-12,15-17,24H,1-3,13-14,19H2,(H,29,30)/b23-17+
InChIKeyVAVAJVNFNLMGPF-HAVVHWLPSA-N
MW410.52 g/mol
LogP5.77
Rot. Bonds6

About (E)-2-cyano-N-cyclohexyl-3-[2-(naphthalen-1-ylmethoxy)phenyl]prop-2-enamide

(E)-2-cyano-N-cyclohexyl-3-[2-(naphthalen-1-ylmethoxy)phenyl]prop-2-enamide (PubChem CID 6014897) has the molecular formula C27H26N2O2 and a molecular weight of 410.52 g/mol. Its IUPAC name is (E)-2-cyano-N-cyclohexyl-3-[2-(naphthalen-1-ylmethoxy)phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-2-cyano-N-cyclohexyl-3-[2-(naphthalen-1-ylmethoxy)phenyl]prop-2-enamide
PubChem CID6014897
Molecular FormulaC27H26N2O2
Molecular Weight410.52 g/mol
Exact Mass410.20
IUPAC Name(E)-2-cyano-N-cyclohexyl-3-[2-(naphthalen-1-ylmethoxy)phenyl]prop-2-enamide
SMILESN#C/C(=C\c1ccccc1OCc1cccc2ccccc12)C(=O)NC1CCCCC1
InChIInChI=1S/C27H26N2O2/c28-18-23(27(30)29-24-13-2-1-3-14-24)17-21-10-5-7-16-26(21)31-19-22-12-8-11-20-9-4-6-15-25(20)22/h4-12,15-17,24H,1-3,13-14,19H2,(H,29,30)/b23-17+
InChIKeyVAVAJVNFNLMGPF-HAVVHWLPSA-N
XLogP5.77
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.52
LogP ≤ 55.77
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-cyclohexyl-3-(2-propoxyphenyl)prop-2-enamide
CID 19206616
2-[2-[(Z)-2-cyano-3-(cyclopentylamino)-3-oxoprop-1-enyl]phenoxy]acetic acid
CID 56809771
(Z)-2-cyano-N-cyclopentyl-3-[2-[(4-iodophenyl)methoxy]phenyl]prop-2-enamide
CID 126197199
(E)-2-cyano-N-cyclododecyl-3-(2-methoxyphenyl)prop-2-enamide
CID 19175296
(Z)-2-cyano-3-[2-(naphthalen-1-ylmethoxy)phenyl]-N-[(1S)-1-phenylethyl]prop-2-enamide
CID 126248155
(E)-3-[5-bromo-2-[(2-chlorophenyl)methoxy]phenyl]-2-cyano-N-cyclopentylprop-2-enamide
CID 17255348
(Z)-2-cyano-N-cyclohexyl-3-(2-ethoxy-3-methoxyphenyl)prop-2-enamide
CID 19183852
(Z)-2-cyano-3-[2-(naphthalen-1-ylmethoxy)phenyl]-N-(4-sulfamoylphenyl)prop-2-enamide
CID 5437836
(Z)-2-cyano-N-cyclopentyl-3-(2-ethoxynaphthalen-1-yl)prop-2-enamide
CID 126196041
(Z)-2-cyano-N-cyclopentyl-3-(2-fluorophenyl)prop-2-enamide
CID 51322190
(E)-3-[2-(naphthalen-1-ylmethoxy)phenyl]-2-phenylprop-2-enenitrile
CID 126370031
(E)-2-cyano-N-cycloheptyl-3-[1-[2-(2-methoxyphenoxy)ethyl]indol-3-yl]prop-2-enamide
CID 21234754

Frequently Asked Questions

What is the IUPAC name of (E)-2-cyano-N-cyclohexyl-3-[2-(naphthalen-1-ylmethoxy)phenyl]prop-2-enamide?
The IUPAC name of (E)-2-cyano-N-cyclohexyl-3-[2-(naphthalen-1-ylmethoxy)phenyl]prop-2-enamide (CID 6014897) is (E)-2-cyano-N-cyclohexyl-3-[2-(naphthalen-1-ylmethoxy)phenyl]prop-2-enamide.
What is the SMILES notation for (E)-2-cyano-N-cyclohexyl-3-[2-(naphthalen-1-ylmethoxy)phenyl]prop-2-enamide?
The canonical SMILES for (E)-2-cyano-N-cyclohexyl-3-[2-(naphthalen-1-ylmethoxy)phenyl]prop-2-enamide is N#C/C(=C\c1ccccc1OCc1cccc2ccccc12)C(=O)NC1CCCCC1.
What is the InChIKey of (E)-2-cyano-N-cyclohexyl-3-[2-(naphthalen-1-ylmethoxy)phenyl]prop-2-enamide?
The InChIKey is VAVAJVNFNLMGPF-HAVVHWLPSA-N. The full InChI is InChI=1S/C27H26N2O2/c28-18-23(27(30)29-24-13-2-1-3-14-24)17-21-10-5-7-16-26(21)31-19-22-12-8-11-20-9-4-6-15-25(20)22/h4-12,15-17,24H,1-3,13-14,19H2,(H,29,30)/b23-17+.
What are the key properties of (E)-2-cyano-N-cyclohexyl-3-[2-(naphthalen-1-ylmethoxy)phenyl]prop-2-enamide?
(E)-2-cyano-N-cyclohexyl-3-[2-(naphthalen-1-ylmethoxy)phenyl]prop-2-enamide has a molecular weight of 410.52 g/mol, XLogP of 5.77, 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-(naphthalen-1-ylmethoxy)phenyl]prop-2-enamide is sourced from PubChem (CID 6014897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).