(E)-N-cyclooctyl-3-(2,4,5-trimethoxyphenyl)prop-2-enamide

C20H29NO4 — CID 26709178

IUPAC(E)-N-cyclooctyl-3-(2,4,5-trimethoxyphenyl)prop-2-enamide
SMILESCOc1cc(OC)c(OC)cc1/C=C/C(=O)NC1CCCCCCC1
InChIInChI=1S/C20H29NO4/c1-23-17-14-19(25-3)18(24-2)13-15(17)11-12-20(22)21-16-9-7-5-4-6-8-10-16/h11-14,16H,4-10H2,1-3H3,(H,21,22)/b12-11+
InChIKeyGPRWSRDZVLZEAH-VAWYXSNFSA-N
MW347.46 g/mol
LogP3.95
Rot. Bonds6

About (E)-N-cyclooctyl-3-(2,4,5-trimethoxyphenyl)prop-2-enamide

(E)-N-cyclooctyl-3-(2,4,5-trimethoxyphenyl)prop-2-enamide (PubChem CID 26709178) has the molecular formula C20H29NO4 and a molecular weight of 347.46 g/mol. Its IUPAC name is (E)-N-cyclooctyl-3-(2,4,5-trimethoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-cyclooctyl-3-(2,4,5-trimethoxyphenyl)prop-2-enamide
PubChem CID26709178
Molecular FormulaC20H29NO4
Molecular Weight347.46 g/mol
Exact Mass347.21
IUPAC Name(E)-N-cyclooctyl-3-(2,4,5-trimethoxyphenyl)prop-2-enamide
SMILESCOc1cc(OC)c(OC)cc1/C=C/C(=O)NC1CCCCCCC1
InChIInChI=1S/C20H29NO4/c1-23-17-14-19(25-3)18(24-2)13-15(17)11-12-20(22)21-16-9-7-5-4-6-8-10-16/h11-14,16H,4-10H2,1-3H3,(H,21,22)/b12-11+
InChIKeyGPRWSRDZVLZEAH-VAWYXSNFSA-N
XLogP3.95
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-cyclopropyl-3-(2-methoxy-5-methylphenyl)prop-2-enamide
CID 9210143
(E)-3-(3-amino-4-methoxyphenyl)-N-cycloheptylprop-2-enamide
CID 39390754
(E)-N-cyclododecyl-3-(4-ethoxy-3-methoxyphenyl)prop-2-enamide
CID 19171796
3-(3-bromo-4-methoxyphenyl)-N-cycloheptylprop-2-enamide
CID 4108071
(E)-N-(3-cyclohexyloxypropyl)-3-(2,4,5-trimethoxyphenyl)prop-2-enamide
CID 31720256
(E)-N-cyclohexyl-3-(3-methoxy-2-phenylmethoxyphenyl)prop-2-enamide
CID 51057820
(E)-N-cyclohexyl-3-[3-methoxy-4-(3-methylbutoxy)phenyl]prop-2-enamide
CID 19201331
(E)-N-cyclohexyl-3-(3-methoxy-4-phenylmethoxyphenyl)prop-2-enamide
CID 1188929
(E)-N-cyclohexyl-3-[2,4-dimethoxy-6-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]prop-2-enamide
CID 71495781
(E)-N-cyclododecyl-3-(3-methoxyphenyl)prop-2-enamide
CID 27396979
(E)-N-cyclooctyl-3-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)prop-2-enamide
CID 30453199
N-cyclooctyl-2,4,5-trimethoxybenzamide
CID 912719

Frequently Asked Questions

What is the IUPAC name of (E)-N-cyclooctyl-3-(2,4,5-trimethoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-N-cyclooctyl-3-(2,4,5-trimethoxyphenyl)prop-2-enamide (CID 26709178) is (E)-N-cyclooctyl-3-(2,4,5-trimethoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-cyclooctyl-3-(2,4,5-trimethoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-cyclooctyl-3-(2,4,5-trimethoxyphenyl)prop-2-enamide is COc1cc(OC)c(OC)cc1/C=C/C(=O)NC1CCCCCCC1.
What is the InChIKey of (E)-N-cyclooctyl-3-(2,4,5-trimethoxyphenyl)prop-2-enamide?
The InChIKey is GPRWSRDZVLZEAH-VAWYXSNFSA-N. The full InChI is InChI=1S/C20H29NO4/c1-23-17-14-19(25-3)18(24-2)13-15(17)11-12-20(22)21-16-9-7-5-4-6-8-10-16/h11-14,16H,4-10H2,1-3H3,(H,21,22)/b12-11+.
What are the key properties of (E)-N-cyclooctyl-3-(2,4,5-trimethoxyphenyl)prop-2-enamide?
(E)-N-cyclooctyl-3-(2,4,5-trimethoxyphenyl)prop-2-enamide has a molecular weight of 347.46 g/mol, XLogP of 3.95, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-cyclooctyl-3-(2,4,5-trimethoxyphenyl)prop-2-enamide is sourced from PubChem (CID 26709178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).