(E)-3-(2,6-dimethoxyphenyl)-N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]prop-2-enamide

C21H25NO5 — CID 28560821

IUPAC(E)-3-(2,6-dimethoxyphenyl)-N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]prop-2-enamide
SMILESCOc1ccc([C@@H](C)NC(=O)/C=C/c2c(OC)cccc2OC)cc1OC
InChIInChI=1S/C21H25NO5/c1-14(15-9-11-19(26-4)20(13-15)27-5)22-21(23)12-10-16-17(24-2)7-6-8-18(16)25-3/h6-14H,1-5H3,(H,22,23)/b12-10+/t14-/m1/s1
InChIKeyUAACAMUUUKJTIE-IEZBTEQYSA-N
MW371.43 g/mol
LogP3.61
Rot. Bonds8

About (E)-3-(2,6-dimethoxyphenyl)-N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]prop-2-enamide

(E)-3-(2,6-dimethoxyphenyl)-N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]prop-2-enamide (PubChem CID 28560821) has the molecular formula C21H25NO5 and a molecular weight of 371.43 g/mol. Its IUPAC name is (E)-3-(2,6-dimethoxyphenyl)-N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2,6-dimethoxyphenyl)-N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]prop-2-enamide
PubChem CID28560821
Molecular FormulaC21H25NO5
Molecular Weight371.43 g/mol
Exact Mass371.17
IUPAC Name(E)-3-(2,6-dimethoxyphenyl)-N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]prop-2-enamide
SMILESCOc1ccc([C@@H](C)NC(=O)/C=C/c2c(OC)cccc2OC)cc1OC
InChIInChI=1S/C21H25NO5/c1-14(15-9-11-19(26-4)20(13-15)27-5)22-21(23)12-10-16-17(24-2)7-6-8-18(16)25-3/h6-14H,1-5H3,(H,22,23)/b12-10+/t14-/m1/s1
InChIKeyUAACAMUUUKJTIE-IEZBTEQYSA-N
XLogP3.61
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.43
LogP ≤ 53.61
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)-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-3-(2-methoxyphenyl)prop-2-enamide
CID 92672766
(E)-3-(3,4-dimethoxyphenyl)-N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]prop-2-enamide
CID 92674332
(E)-3-(2-chlorophenyl)-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]prop-2-enamide
CID 30381442
(E)-3-(2-chlorophenyl)-N-[1-(3,4-dimethoxyphenyl)ethyl]prop-2-enamide
CID 17329451
4-[1-(3,4-dimethoxyphenyl)ethylamino]-4-oxobut-2-enoic acid
CID 61172423
(E)-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-3-(4-methoxyphenyl)prop-2-enamide
CID 92646063
3-(2,6-difluorophenyl)-N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]prop-2-enamide
CID 55797709
(E)-3-(2,6-dimethoxyphenyl)-N-[1-(2,4,5-trimethylphenyl)ethyl]prop-2-enamide
CID 43906876
(E)-N-[(1R)-1-(3-bromo-4-methoxyphenyl)ethyl]-3-(3,4-dimethoxyphenyl)prop-2-enamide
CID 8962900
(E)-N-[1-(4-cyclopentyloxy-3-methoxyphenyl)ethyl]-3-(3,4-dimethoxyphenyl)prop-2-enamide
CID 55745702
(E)-N-[1-[3-(dimethylamino)-4-methoxyphenyl]ethyl]-3-(3-methylphenyl)prop-2-enamide
CID 142190221
N'-[1-(3,4-dimethoxyphenyl)ethyl]-N-(1-phenylethyl)oxamide
CID 108507825

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2,6-dimethoxyphenyl)-N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]prop-2-enamide?
The IUPAC name of (E)-3-(2,6-dimethoxyphenyl)-N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]prop-2-enamide (CID 28560821) is (E)-3-(2,6-dimethoxyphenyl)-N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(2,6-dimethoxyphenyl)-N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]prop-2-enamide?
The canonical SMILES for (E)-3-(2,6-dimethoxyphenyl)-N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]prop-2-enamide is COc1ccc([C@@H](C)NC(=O)/C=C/c2c(OC)cccc2OC)cc1OC.
What is the InChIKey of (E)-3-(2,6-dimethoxyphenyl)-N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]prop-2-enamide?
The InChIKey is UAACAMUUUKJTIE-IEZBTEQYSA-N. The full InChI is InChI=1S/C21H25NO5/c1-14(15-9-11-19(26-4)20(13-15)27-5)22-21(23)12-10-16-17(24-2)7-6-8-18(16)25-3/h6-14H,1-5H3,(H,22,23)/b12-10+/t14-/m1/s1.
What are the key properties of (E)-3-(2,6-dimethoxyphenyl)-N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]prop-2-enamide?
(E)-3-(2,6-dimethoxyphenyl)-N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]prop-2-enamide has a molecular weight of 371.43 g/mol, XLogP of 3.61, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2,6-dimethoxyphenyl)-N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]prop-2-enamide is sourced from PubChem (CID 28560821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).