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

C22H33NO2 — CID 27396979

IUPAC(E)-N-cyclododecyl-3-(3-methoxyphenyl)prop-2-enamide
SMILESCOc1cccc(/C=C/C(=O)NC2CCCCCCCCCCC2)c1
InChIInChI=1S/C22H33NO2/c1-25-21-15-11-12-19(18-21)16-17-22(24)23-20-13-9-7-5-3-2-4-6-8-10-14-20/h11-12,15-18,20H,2-10,13-14H2,1H3,(H,23,24)/b17-16+
InChIKeyRFGXGVJTONJUJQ-WUKNDPDISA-N
MW343.51 g/mol
LogP5.50
Rot. Bonds4

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

(E)-N-cyclododecyl-3-(3-methoxyphenyl)prop-2-enamide (PubChem CID 27396979) has the molecular formula C22H33NO2 and a molecular weight of 343.51 g/mol. Its IUPAC name is (E)-N-cyclododecyl-3-(3-methoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-cyclododecyl-3-(3-methoxyphenyl)prop-2-enamide
PubChem CID27396979
Molecular FormulaC22H33NO2
Molecular Weight343.51 g/mol
Exact Mass343.25
IUPAC Name(E)-N-cyclododecyl-3-(3-methoxyphenyl)prop-2-enamide
SMILESCOc1cccc(/C=C/C(=O)NC2CCCCCCCCCCC2)c1
InChIInChI=1S/C22H33NO2/c1-25-21-15-11-12-19(18-21)16-17-22(24)23-20-13-9-7-5-3-2-4-6-8-10-14-20/h11-12,15-18,20H,2-10,13-14H2,1H3,(H,23,24)/b17-16+
InChIKeyRFGXGVJTONJUJQ-WUKNDPDISA-N
XLogP5.50
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.51
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopropyl-3-(3-methoxyphenyl)prop-2-enamide
CID 78488507
(E)-3-(3-bromophenyl)-N-cyclooctylprop-2-enamide
CID 2684563
(E)-N-cycloheptyl-3-phenylprop-2-enamide
CID 6027758
(E)-3-(3-amino-4-methoxyphenyl)-N-cycloheptylprop-2-enamide
CID 39390754
(E)-3-(3-cyclohexyloxyphenyl)-N-(3-hydroxycyclobutyl)prop-2-enamide
CID 167901824
3-(3-bromo-4-methoxyphenyl)-N-cycloheptylprop-2-enamide
CID 4108071
(E)-3-(3-methoxyphenyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]prop-2-enamide
CID 2710172
(E)-N-cyclopropyl-3-(4-methoxyphenyl)prop-2-enamide
CID 874267
(E)-N-(2,3-dihydro-1H-inden-1-yl)-3-(3-methoxyphenyl)prop-2-enamide
CID 51281195
(E)-N-cycloheptyl-3-(3-methoxyphenyl)-N-methylprop-2-enamide
CID 55468763
(E)-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-(3-methoxyphenyl)prop-2-enamide
CID 110903601
(E)-N-cyclododecyl-3-(4-ethoxy-3-methoxyphenyl)prop-2-enamide
CID 19171796

Frequently Asked Questions

What is the IUPAC name of (E)-N-cyclododecyl-3-(3-methoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-N-cyclododecyl-3-(3-methoxyphenyl)prop-2-enamide (CID 27396979) is (E)-N-cyclododecyl-3-(3-methoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-cyclododecyl-3-(3-methoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-cyclododecyl-3-(3-methoxyphenyl)prop-2-enamide is COc1cccc(/C=C/C(=O)NC2CCCCCCCCCCC2)c1.
What is the InChIKey of (E)-N-cyclododecyl-3-(3-methoxyphenyl)prop-2-enamide?
The InChIKey is RFGXGVJTONJUJQ-WUKNDPDISA-N. The full InChI is InChI=1S/C22H33NO2/c1-25-21-15-11-12-19(18-21)16-17-22(24)23-20-13-9-7-5-3-2-4-6-8-10-14-20/h11-12,15-18,20H,2-10,13-14H2,1H3,(H,23,24)/b17-16+.
What are the key properties of (E)-N-cyclododecyl-3-(3-methoxyphenyl)prop-2-enamide?
(E)-N-cyclododecyl-3-(3-methoxyphenyl)prop-2-enamide has a molecular weight of 343.51 g/mol, XLogP of 5.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-cyclododecyl-3-(3-methoxyphenyl)prop-2-enamide is sourced from PubChem (CID 27396979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).