(E)-3-(3,4-dimethoxyphenyl)-N-(5-hydroxy-3-phenylpentyl)prop-2-enamide

C22H27NO4 — CID 121112229

IUPAC(E)-3-(3,4-dimethoxyphenyl)-N-(5-hydroxy-3-phenylpentyl)prop-2-enamide
SMILESCOc1ccc(/C=C/C(=O)NCCC(CCO)c2ccccc2)cc1OC
InChIInChI=1S/C22H27NO4/c1-26-20-10-8-17(16-21(20)27-2)9-11-22(25)23-14-12-19(13-15-24)18-6-4-3-5-7-18/h3-11,16,19,24H,12-15H2,1-2H3,(H,23,25)/b11-9+
InChIKeyQCROILJTNZJAEB-PKNBQFBNSA-N
MW369.46 g/mol
LogP3.39
Rot. Bonds10

About (E)-3-(3,4-dimethoxyphenyl)-N-(5-hydroxy-3-phenylpentyl)prop-2-enamide

(E)-3-(3,4-dimethoxyphenyl)-N-(5-hydroxy-3-phenylpentyl)prop-2-enamide (PubChem CID 121112229) has the molecular formula C22H27NO4 and a molecular weight of 369.46 g/mol. Its IUPAC name is (E)-3-(3,4-dimethoxyphenyl)-N-(5-hydroxy-3-phenylpentyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(3,4-dimethoxyphenyl)-N-(5-hydroxy-3-phenylpentyl)prop-2-enamide
PubChem CID121112229
Molecular FormulaC22H27NO4
Molecular Weight369.46 g/mol
Exact Mass369.19
IUPAC Name(E)-3-(3,4-dimethoxyphenyl)-N-(5-hydroxy-3-phenylpentyl)prop-2-enamide
SMILESCOc1ccc(/C=C/C(=O)NCCC(CCO)c2ccccc2)cc1OC
InChIInChI=1S/C22H27NO4/c1-26-20-10-8-17(16-21(20)27-2)9-11-22(25)23-14-12-19(13-15-24)18-6-4-3-5-7-18/h3-11,16,19,24H,12-15H2,1-2H3,(H,23,25)/b11-9+
InChIKeyQCROILJTNZJAEB-PKNBQFBNSA-N
XLogP3.39
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.46
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(3,4-dimethoxyphenyl)-N-(3-methylbutyl)prop-2-enamide
CID 2932857
(Z)-3-(3,4-dimethoxyphenyl)-N-[3-[[(Z)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino]propyl]prop-2-enamide
CID 92928565
3-(3,4-dimethoxyphenyl)-N-[2-(2-methoxyphenoxy)ethyl]prop-2-enamide
CID 5217365
3-(3,4-dimethoxyphenyl)-N-pentylprop-2-enamide
CID 3544026
(E)-N-[3-(4-benzhydrylpiperazin-1-yl)propyl]-3-(3,4-dimethoxyphenyl)prop-2-enamide
CID 13362842
(Z)-3-(3,4-dimethoxyphenyl)-N-(2-methylpropyl)prop-2-enamide
CID 2329661
3-(3,4-dimethoxyphenyl)-N-[2-(3,4-dimethylphenyl)ethyl]prop-2-enamide
CID 123868458
(E)-3-[4-(difluoromethoxy)-3-methoxyphenyl]-N-(3-methylbutyl)prop-2-enamide
CID 2677238
(E)-3-(3,4-dimethoxyphenyl)-N-nonylprop-2-enamide
CID 6075607
3-(3,4-dimethoxyphenyl)-N-hexadecylprop-2-enamide
CID 3419575
(3S)-4-[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoylamino]-3-phenylbutanoic acid
CID 163069387
(E)-3-(furan-2-yl)-N-(5-hydroxy-3-phenylpentyl)prop-2-enamide
CID 121112127

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3,4-dimethoxyphenyl)-N-(5-hydroxy-3-phenylpentyl)prop-2-enamide?
The IUPAC name of (E)-3-(3,4-dimethoxyphenyl)-N-(5-hydroxy-3-phenylpentyl)prop-2-enamide (CID 121112229) is (E)-3-(3,4-dimethoxyphenyl)-N-(5-hydroxy-3-phenylpentyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(3,4-dimethoxyphenyl)-N-(5-hydroxy-3-phenylpentyl)prop-2-enamide?
The canonical SMILES for (E)-3-(3,4-dimethoxyphenyl)-N-(5-hydroxy-3-phenylpentyl)prop-2-enamide is COc1ccc(/C=C/C(=O)NCCC(CCO)c2ccccc2)cc1OC.
What is the InChIKey of (E)-3-(3,4-dimethoxyphenyl)-N-(5-hydroxy-3-phenylpentyl)prop-2-enamide?
The InChIKey is QCROILJTNZJAEB-PKNBQFBNSA-N. The full InChI is InChI=1S/C22H27NO4/c1-26-20-10-8-17(16-21(20)27-2)9-11-22(25)23-14-12-19(13-15-24)18-6-4-3-5-7-18/h3-11,16,19,24H,12-15H2,1-2H3,(H,23,25)/b11-9+.
What are the key properties of (E)-3-(3,4-dimethoxyphenyl)-N-(5-hydroxy-3-phenylpentyl)prop-2-enamide?
(E)-3-(3,4-dimethoxyphenyl)-N-(5-hydroxy-3-phenylpentyl)prop-2-enamide has a molecular weight of 369.46 g/mol, XLogP of 3.39, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3,4-dimethoxyphenyl)-N-(5-hydroxy-3-phenylpentyl)prop-2-enamide is sourced from PubChem (CID 121112229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).