N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-2-(1-methylidene-3-oxoisoindol-2-yl)propanamide

C23H26N2O4 — CID 42892587

IUPACN-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-2-(1-methylidene-3-oxoisoindol-2-yl)propanamide
SMILESC=C1c2ccccc2C(=O)N1C(C)C(=O)N(C)CCc1ccc(OC)c(OC)c1
InChIInChI=1S/C23H26N2O4/c1-15-18-8-6-7-9-19(18)23(27)25(15)16(2)22(26)24(3)13-12-17-10-11-20(28-4)21(14-17)29-5/h6-11,14,16H,1,12-13H2,2-5H3
InChIKeyXCGPVCSUCGNSQG-UHFFFAOYSA-N
MW394.47 g/mol
LogP3.22
Rot. Bonds7

About N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-2-(1-methylidene-3-oxoisoindol-2-yl)propanamide

N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-2-(1-methylidene-3-oxoisoindol-2-yl)propanamide (PubChem CID 42892587) has the molecular formula C23H26N2O4 and a molecular weight of 394.47 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-2-(1-methylidene-3-oxoisoindol-2-yl)propanamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-2-(1-methylidene-3-oxoisoindol-2-yl)propanamide
PubChem CID42892587
Molecular FormulaC23H26N2O4
Molecular Weight394.47 g/mol
Exact Mass394.19
IUPAC NameN-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-2-(1-methylidene-3-oxoisoindol-2-yl)propanamide
SMILESC=C1c2ccccc2C(=O)N1C(C)C(=O)N(C)CCc1ccc(OC)c(OC)c1
InChIInChI=1S/C23H26N2O4/c1-15-18-8-6-7-9-19(18)23(27)25(15)16(2)22(26)24(3)13-12-17-10-11-20(28-4)21(14-17)29-5/h6-11,14,16H,1,12-13H2,2-5H3
InChIKeyXCGPVCSUCGNSQG-UHFFFAOYSA-N
XLogP3.22
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.47
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-2-(1-methylidene-3-oxoisoindol-2-yl)propanamide
CID 42885190
(2R)-2-amino-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-phenylpropanamide
CID 770468
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-1,3-dioxo-2-(2-phenylethyl)isoindole-5-carboxamide
CID 26826321
methyl N-[1-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-3-methyl-1-oxobutan-2-yl]carbamate
CID 163728609
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)-N,4-dimethylpentanamide
CID 55350879
(2S)-2-(1,3-dioxoisoindol-2-yl)-N-methoxy-N-methylpropanamide
CID 15518686
2-[(4S,6S)-1,9-bis(3,4-dimethoxyphenyl)-6-(1,3-dioxoisoindol-2-yl)-2,8-dimethyl-5-oxononan-4-yl]isoindole-1,3-dione
CID 70363596
5-(2-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylfuran-2-carboxamide
CID 9085023
N-[2-(3,4-dimethoxyphenyl)ethyl]-N,2,2,3-tetramethylbutanamide
CID 69472007
2-[4-[(3,4-dimethoxyphenyl)methyl-methylamino]butyl]isoindole-1,3-dione
CID 18151772
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2,2-dimethylpropanoylamino)-N,3-dimethylbutanamide
CID 42706026
1-(3,4-dimethoxyphenyl)propan-2-amine;2-[1-(3,4-dimethoxyphenyl)propan-2-yl]isoindole-1,3-dione
CID 159156750

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-2-(1-methylidene-3-oxoisoindol-2-yl)propanamide?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-2-(1-methylidene-3-oxoisoindol-2-yl)propanamide (CID 42892587) is N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-2-(1-methylidene-3-oxoisoindol-2-yl)propanamide.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-2-(1-methylidene-3-oxoisoindol-2-yl)propanamide?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-2-(1-methylidene-3-oxoisoindol-2-yl)propanamide is C=C1c2ccccc2C(=O)N1C(C)C(=O)N(C)CCc1ccc(OC)c(OC)c1.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-2-(1-methylidene-3-oxoisoindol-2-yl)propanamide?
The InChIKey is XCGPVCSUCGNSQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O4/c1-15-18-8-6-7-9-19(18)23(27)25(15)16(2)22(26)24(3)13-12-17-10-11-20(28-4)21(14-17)29-5/h6-11,14,16H,1,12-13H2,2-5H3.
What are the key properties of N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-2-(1-methylidene-3-oxoisoindol-2-yl)propanamide?
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-2-(1-methylidene-3-oxoisoindol-2-yl)propanamide has a molecular weight of 394.47 g/mol, XLogP of 3.22, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-2-(1-methylidene-3-oxoisoindol-2-yl)propanamide is sourced from PubChem (CID 42892587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).