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

C23H27NO5 — CID 55807842

IUPAC(E)-N-(2-cyclopentyloxyphenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
SMILESCOc1cc(/C=C/C(=O)Nc2ccccc2OC2CCCC2)cc(OC)c1OC
InChIInChI=1S/C23H27NO5/c1-26-20-14-16(15-21(27-2)23(20)28-3)12-13-22(25)24-18-10-6-7-11-19(18)29-17-8-4-5-9-17/h6-7,10-15,17H,4-5,8-9H2,1-3H3,(H,24,25)/b13-12+
InChIKeyQEFWHHQCOIOKDU-OUKQBFOZSA-N
MW397.47 g/mol
LogP4.69
Rot. Bonds8

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

(E)-N-(2-cyclopentyloxyphenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide (PubChem CID 55807842) has the molecular formula C23H27NO5 and a molecular weight of 397.47 g/mol. Its IUPAC name is (E)-N-(2-cyclopentyloxyphenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(2-cyclopentyloxyphenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
PubChem CID55807842
Molecular FormulaC23H27NO5
Molecular Weight397.47 g/mol
Exact Mass397.19
IUPAC Name(E)-N-(2-cyclopentyloxyphenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
SMILESCOc1cc(/C=C/C(=O)Nc2ccccc2OC2CCCC2)cc(OC)c1OC
InChIInChI=1S/C23H27NO5/c1-26-20-14-16(15-21(27-2)23(20)28-3)12-13-22(25)24-18-10-6-7-11-19(18)29-17-8-4-5-9-17/h6-7,10-15,17H,4-5,8-9H2,1-3H3,(H,24,25)/b13-12+
InChIKeyQEFWHHQCOIOKDU-OUKQBFOZSA-N
XLogP4.69
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.47
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(3,4,5-trimethoxyphenyl)-N-[2-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]prop-2-enamide
CID 135359894
2-[[(E)-3-(4-cyclobutyloxy-3-methoxyphenyl)prop-2-enoyl]amino]benzoic acid
CID 67889721
N-cyclopropyl-2-[[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]amino]benzamide
CID 7944497
(E)-N-(2-acetylphenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 8749614
(E)-N-(2-phenylphenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 7929957
N-propan-2-yl-2-[[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]amino]benzamide
CID 6145912
(E)-N-[2-(pyrrolidine-1-carbonyl)phenyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 26706811
N-[2,5-dimethoxy-4-[3-(3,4,5-trimethoxyphenyl)prop-2-enoylamino]phenyl]benzamide
CID 2915510
(E)-N-(2,3-difluorophenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 60596805
(E)-3-(4-aminophenyl)-N-[2-methoxy-4-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]prop-2-enamide
CID 135359857
N-[2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-3-phenylprop-2-enamide
CID 135359423
(E)-N-[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 155816075

Frequently Asked Questions

What is the IUPAC name of (E)-N-(2-cyclopentyloxyphenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-N-(2-cyclopentyloxyphenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide (CID 55807842) is (E)-N-(2-cyclopentyloxyphenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-(2-cyclopentyloxyphenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-(2-cyclopentyloxyphenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide is COc1cc(/C=C/C(=O)Nc2ccccc2OC2CCCC2)cc(OC)c1OC.
What is the InChIKey of (E)-N-(2-cyclopentyloxyphenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide?
The InChIKey is QEFWHHQCOIOKDU-OUKQBFOZSA-N. The full InChI is InChI=1S/C23H27NO5/c1-26-20-14-16(15-21(27-2)23(20)28-3)12-13-22(25)24-18-10-6-7-11-19(18)29-17-8-4-5-9-17/h6-7,10-15,17H,4-5,8-9H2,1-3H3,(H,24,25)/b13-12+.
What are the key properties of (E)-N-(2-cyclopentyloxyphenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide?
(E)-N-(2-cyclopentyloxyphenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide has a molecular weight of 397.47 g/mol, XLogP of 4.69, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2-cyclopentyloxyphenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide is sourced from PubChem (CID 55807842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).