(E)-2-cyano-N-cyclododecyl-3-(2-methoxyphenyl)prop-2-enamide

C23H32N2O2 — CID 19175296

IUPAC(E)-2-cyano-N-cyclododecyl-3-(2-methoxyphenyl)prop-2-enamide
SMILESCOc1ccccc1/C=C(\C#N)C(=O)NC1CCCCCCCCCCC1
InChIInChI=1S/C23H32N2O2/c1-27-22-16-12-11-13-19(22)17-20(18-24)23(26)25-21-14-9-7-5-3-2-4-6-8-10-15-21/h11-13,16-17,21H,2-10,14-15H2,1H3,(H,25,26)/b20-17+
InChIKeyUFBUWIOLFZCTQH-LVZFUZTISA-N
MW368.52 g/mol
LogP5.39
Rot. Bonds4

About (E)-2-cyano-N-cyclododecyl-3-(2-methoxyphenyl)prop-2-enamide

(E)-2-cyano-N-cyclododecyl-3-(2-methoxyphenyl)prop-2-enamide (PubChem CID 19175296) has the molecular formula C23H32N2O2 and a molecular weight of 368.52 g/mol. Its IUPAC name is (E)-2-cyano-N-cyclododecyl-3-(2-methoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-2-cyano-N-cyclododecyl-3-(2-methoxyphenyl)prop-2-enamide
PubChem CID19175296
Molecular FormulaC23H32N2O2
Molecular Weight368.52 g/mol
Exact Mass368.25
IUPAC Name(E)-2-cyano-N-cyclododecyl-3-(2-methoxyphenyl)prop-2-enamide
SMILESCOc1ccccc1/C=C(\C#N)C(=O)NC1CCCCCCCCCCC1
InChIInChI=1S/C23H32N2O2/c1-27-22-16-12-11-13-19(22)17-20(18-24)23(26)25-21-14-9-7-5-3-2-4-6-8-10-15-21/h11-13,16-17,21H,2-10,14-15H2,1H3,(H,25,26)/b20-17+
InChIKeyUFBUWIOLFZCTQH-LVZFUZTISA-N
XLogP5.39
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.52
LogP ≤ 55.39
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
(Z)-2-cyano-N-cyclohexyl-3-(2-ethoxy-3-methoxyphenyl)prop-2-enamide
CID 19183852
2-[2-[(Z)-2-cyano-3-(cyclopentylamino)-3-oxoprop-1-enyl]phenoxy]acetic acid
CID 56809771
(E)-3-(2-bromo-4,5-dimethoxyphenyl)-2-cyano-N-cycloheptylprop-2-enamide
CID 19631650
(Z)-2-cyano-N-cyclopentyl-3-(2-fluorophenyl)prop-2-enamide
CID 51322190
(E)-2-cyano-N-cyclohexyl-3-[2-(naphthalen-1-ylmethoxy)phenyl]prop-2-enamide
CID 6014897
(Z)-2-cyano-N-cyclopentyl-3-[2-[(4-iodophenyl)methoxy]phenyl]prop-2-enamide
CID 126197199
3-(2-bromo-4-hydroxy-5-methoxyphenyl)-2-cyano-N-cyclohexylprop-2-enamide
CID 76871334
(Z)-2-cyano-N-cyclohexyl-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 839975
(E)-2-cyano-N-cycloheptyl-3-[1-[2-(2-methoxyphenoxy)ethyl]indol-3-yl]prop-2-enamide
CID 21234754
2-cyano-N-cyclohexyl-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamide
CID 4246307
(Z)-2-cyano-N-cyclopentyl-3-[(2-methoxyphenyl)methylamino]prop-2-enamide
CID 108835664

Frequently Asked Questions

What is the IUPAC name of (E)-2-cyano-N-cyclododecyl-3-(2-methoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-2-cyano-N-cyclododecyl-3-(2-methoxyphenyl)prop-2-enamide (CID 19175296) is (E)-2-cyano-N-cyclododecyl-3-(2-methoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-2-cyano-N-cyclododecyl-3-(2-methoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-2-cyano-N-cyclododecyl-3-(2-methoxyphenyl)prop-2-enamide is COc1ccccc1/C=C(\C#N)C(=O)NC1CCCCCCCCCCC1.
What is the InChIKey of (E)-2-cyano-N-cyclododecyl-3-(2-methoxyphenyl)prop-2-enamide?
The InChIKey is UFBUWIOLFZCTQH-LVZFUZTISA-N. The full InChI is InChI=1S/C23H32N2O2/c1-27-22-16-12-11-13-19(22)17-20(18-24)23(26)25-21-14-9-7-5-3-2-4-6-8-10-15-21/h11-13,16-17,21H,2-10,14-15H2,1H3,(H,25,26)/b20-17+.
What are the key properties of (E)-2-cyano-N-cyclododecyl-3-(2-methoxyphenyl)prop-2-enamide?
(E)-2-cyano-N-cyclododecyl-3-(2-methoxyphenyl)prop-2-enamide has a molecular weight of 368.52 g/mol, XLogP of 5.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-cyano-N-cyclododecyl-3-(2-methoxyphenyl)prop-2-enamide is sourced from PubChem (CID 19175296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).