(E)-3-(3,4-dimethoxyphenyl)-N-(3-methylphenyl)-N-propylprop-2-enamide

C21H25NO3 — CID 17321061

IUPAC(E)-3-(3,4-dimethoxyphenyl)-N-(3-methylphenyl)-N-propylprop-2-enamide
SMILESCCCN(C(=O)/C=C/c1ccc(OC)c(OC)c1)c1cccc(C)c1
InChIInChI=1S/C21H25NO3/c1-5-13-22(18-8-6-7-16(2)14-18)21(23)12-10-17-9-11-19(24-3)20(15-17)25-4/h6-12,14-15H,5,13H2,1-4H3/b12-10+
InChIKeyNDSNSZQORMMSGM-ZRDIBKRKSA-N
MW339.44 g/mol
LogP4.47
Rot. Bonds7

About (E)-3-(3,4-dimethoxyphenyl)-N-(3-methylphenyl)-N-propylprop-2-enamide

(E)-3-(3,4-dimethoxyphenyl)-N-(3-methylphenyl)-N-propylprop-2-enamide (PubChem CID 17321061) has the molecular formula C21H25NO3 and a molecular weight of 339.44 g/mol. Its IUPAC name is (E)-3-(3,4-dimethoxyphenyl)-N-(3-methylphenyl)-N-propylprop-2-enamide.

Molecular Properties

Compound Name(E)-3-(3,4-dimethoxyphenyl)-N-(3-methylphenyl)-N-propylprop-2-enamide
PubChem CID17321061
Molecular FormulaC21H25NO3
Molecular Weight339.44 g/mol
Exact Mass339.18
IUPAC Name(E)-3-(3,4-dimethoxyphenyl)-N-(3-methylphenyl)-N-propylprop-2-enamide
SMILESCCCN(C(=O)/C=C/c1ccc(OC)c(OC)c1)c1cccc(C)c1
InChIInChI=1S/C21H25NO3/c1-5-13-22(18-8-6-7-16(2)14-18)21(23)12-10-17-9-11-19(24-3)20(15-17)25-4/h6-12,14-15H,5,13H2,1-4H3/b12-10+
InChIKeyNDSNSZQORMMSGM-ZRDIBKRKSA-N
XLogP4.47
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-ethyl-3-(4-hydroxyphenyl)-N-(3-methylphenyl)prop-2-enamide
CID 84552695
(E)-3-(3,4-dimethoxyphenyl)-N-methoxy-N-methylprop-2-enamide
CID 22347490
(E)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-(3-methylphenyl)prop-2-enamide
CID 9468468
1-(3,4-dimethoxyphenyl)pent-1-en-3-one
CID 85437711
1,7-bis(3,4-dimethoxyphenyl)hepta-1,6-diene-3,5-dione
CID 53393977
(E)-N-benzyl-3-(3,4-dimethoxyphenyl)-N-ethylprop-2-enamide
CID 6057475
N-(3,4-dimethoxyphenyl)-N'-ethyl-N'-(3-methylphenyl)propanediamide
CID 108956025
3-(3-ethoxy-4-methoxyphenyl)-N-methoxy-N-methylprop-2-enamide
CID 102603194
(E)-3-(3,4-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylprop-2-enamide
CID 14237547
(E)-N-ethyl-N-(3-methylphenyl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide
CID 5353234
(1E,4E)-1,5-bis(3,4-dimethoxyphenyl)penta-1,4-dien-3-one;ethane
CID 143217008
(E)-3-[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]prop-2-enoic acid
CID 42314643

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3,4-dimethoxyphenyl)-N-(3-methylphenyl)-N-propylprop-2-enamide?
The IUPAC name of (E)-3-(3,4-dimethoxyphenyl)-N-(3-methylphenyl)-N-propylprop-2-enamide (CID 17321061) is (E)-3-(3,4-dimethoxyphenyl)-N-(3-methylphenyl)-N-propylprop-2-enamide.
What is the SMILES notation for (E)-3-(3,4-dimethoxyphenyl)-N-(3-methylphenyl)-N-propylprop-2-enamide?
The canonical SMILES for (E)-3-(3,4-dimethoxyphenyl)-N-(3-methylphenyl)-N-propylprop-2-enamide is CCCN(C(=O)/C=C/c1ccc(OC)c(OC)c1)c1cccc(C)c1.
What is the InChIKey of (E)-3-(3,4-dimethoxyphenyl)-N-(3-methylphenyl)-N-propylprop-2-enamide?
The InChIKey is NDSNSZQORMMSGM-ZRDIBKRKSA-N. The full InChI is InChI=1S/C21H25NO3/c1-5-13-22(18-8-6-7-16(2)14-18)21(23)12-10-17-9-11-19(24-3)20(15-17)25-4/h6-12,14-15H,5,13H2,1-4H3/b12-10+.
What are the key properties of (E)-3-(3,4-dimethoxyphenyl)-N-(3-methylphenyl)-N-propylprop-2-enamide?
(E)-3-(3,4-dimethoxyphenyl)-N-(3-methylphenyl)-N-propylprop-2-enamide has a molecular weight of 339.44 g/mol, XLogP of 4.47, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3,4-dimethoxyphenyl)-N-(3-methylphenyl)-N-propylprop-2-enamide is sourced from PubChem (CID 17321061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).