N-[2-[4,5-dimethoxy-2-[(E)-3-phenylprop-2-enoyl]phenyl]ethyl]acetamide

C21H23NO4 — CID 14361386

IUPACN-[2-[4,5-dimethoxy-2-[(E)-3-phenylprop-2-enoyl]phenyl]ethyl]acetamide
SMILESCOc1cc(CCNC(C)=O)c(C(=O)/C=C/c2ccccc2)cc1OC
InChIInChI=1S/C21H23NO4/c1-15(23)22-12-11-17-13-20(25-2)21(26-3)14-18(17)19(24)10-9-16-7-5-4-6-8-16/h4-10,13-14H,11-12H2,1-3H3,(H,22,23)/b10-9+
InChIKeyOZWQWDKVSCIFNI-MDZDMXLPSA-N
MW353.42 g/mol
LogP3.28
Rot. Bonds8

About N-[2-[4,5-dimethoxy-2-[(E)-3-phenylprop-2-enoyl]phenyl]ethyl]acetamide

N-[2-[4,5-dimethoxy-2-[(E)-3-phenylprop-2-enoyl]phenyl]ethyl]acetamide (PubChem CID 14361386) has the molecular formula C21H23NO4 and a molecular weight of 353.42 g/mol. Its IUPAC name is N-[2-[4,5-dimethoxy-2-[(E)-3-phenylprop-2-enoyl]phenyl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[4,5-dimethoxy-2-[(E)-3-phenylprop-2-enoyl]phenyl]ethyl]acetamide
PubChem CID14361386
Molecular FormulaC21H23NO4
Molecular Weight353.42 g/mol
Exact Mass353.16
IUPAC NameN-[2-[4,5-dimethoxy-2-[(E)-3-phenylprop-2-enoyl]phenyl]ethyl]acetamide
SMILESCOc1cc(CCNC(C)=O)c(C(=O)/C=C/c2ccccc2)cc1OC
InChIInChI=1S/C21H23NO4/c1-15(23)22-12-11-17-13-20(25-2)21(26-3)14-18(17)19(24)10-9-16-7-5-4-6-8-16/h4-10,13-14H,11-12H2,1-3H3,(H,22,23)/b10-9+
InChIKeyOZWQWDKVSCIFNI-MDZDMXLPSA-N
XLogP3.28
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 53.28
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

N-[2-[2-[3-[3-(dimethylamino)phenyl]prop-2-enoyl]-4,5-dimethoxyphenyl]ethyl]acetamide
CID 3723231
N-[2-[2-[3-(4-butoxyphenyl)prop-2-enoyl]phenyl]ethyl]acetamide
CID 70372211
(E)-N-[2-(2,3-dimethoxyphenyl)ethyl]-3-phenylprop-2-enamide
CID 155112281
N-[2-(2-ethenyl-4,5-dimethoxyphenyl)ethyl]acetamide
CID 15381971
1-(4,5-difluoro-2-methoxyphenyl)-3-phenylprop-2-en-1-one
CID 162367051
N-[2-(2-acetyl-4,5-dimethoxyphenyl)ethyl]but-2-enamide
CID 71383843
tert-butyl N-[2-[2-[(E)-3-(5-bromo-2-methylphenyl)prop-2-enoyl]-4-methoxy-5-phenylmethoxyphenyl]ethyl]carbamate
CID 167345979
(Z)-1-(3,4-dimethoxyphenyl)-3-phenylprop-2-en-1-one
CID 92997690
(E)-3-(3-methoxyphenyl)-N-[2-(2-methoxyphenyl)ethyl]prop-2-enamide
CID 11324381
4,5-dimethoxy-2-[[(E)-3-phenylprop-2-enoyl]amino]benzamide
CID 71741197
(E)-1-[5-[(dimethylamino)methyl]-2-hydroxy-4-methoxyphenyl]-3-phenylprop-2-en-1-one
CID 44578090
[3-(2-acetamidoethyl)-1H-indol-5-yl] (E)-3-phenylprop-2-enoate
CID 121289344

Frequently Asked Questions

What is the IUPAC name of N-[2-[4,5-dimethoxy-2-[(E)-3-phenylprop-2-enoyl]phenyl]ethyl]acetamide?
The IUPAC name of N-[2-[4,5-dimethoxy-2-[(E)-3-phenylprop-2-enoyl]phenyl]ethyl]acetamide (CID 14361386) is N-[2-[4,5-dimethoxy-2-[(E)-3-phenylprop-2-enoyl]phenyl]ethyl]acetamide.
What is the SMILES notation for N-[2-[4,5-dimethoxy-2-[(E)-3-phenylprop-2-enoyl]phenyl]ethyl]acetamide?
The canonical SMILES for N-[2-[4,5-dimethoxy-2-[(E)-3-phenylprop-2-enoyl]phenyl]ethyl]acetamide is COc1cc(CCNC(C)=O)c(C(=O)/C=C/c2ccccc2)cc1OC.
What is the InChIKey of N-[2-[4,5-dimethoxy-2-[(E)-3-phenylprop-2-enoyl]phenyl]ethyl]acetamide?
The InChIKey is OZWQWDKVSCIFNI-MDZDMXLPSA-N. The full InChI is InChI=1S/C21H23NO4/c1-15(23)22-12-11-17-13-20(25-2)21(26-3)14-18(17)19(24)10-9-16-7-5-4-6-8-16/h4-10,13-14H,11-12H2,1-3H3,(H,22,23)/b10-9+.
What are the key properties of N-[2-[4,5-dimethoxy-2-[(E)-3-phenylprop-2-enoyl]phenyl]ethyl]acetamide?
N-[2-[4,5-dimethoxy-2-[(E)-3-phenylprop-2-enoyl]phenyl]ethyl]acetamide has a molecular weight of 353.42 g/mol, XLogP of 3.28, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4,5-dimethoxy-2-[(E)-3-phenylprop-2-enoyl]phenyl]ethyl]acetamide is sourced from PubChem (CID 14361386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).