3,4-dimethoxy-N-[2-[1-(2-methoxyphenyl)ethyl-methylamino]-2-oxoethyl]benzamide

C21H26N2O5 — CID 55580515

IUPAC3,4-dimethoxy-N-[2-[1-(2-methoxyphenyl)ethyl-methylamino]-2-oxoethyl]benzamide
SMILESCOc1ccc(C(=O)NCC(=O)N(C)C(C)c2ccccc2OC)cc1OC
InChIInChI=1S/C21H26N2O5/c1-14(16-8-6-7-9-17(16)26-3)23(2)20(24)13-22-21(25)15-10-11-18(27-4)19(12-15)28-5/h6-12,14H,13H2,1-5H3,(H,22,25)
InChIKeyXZJIHBSLPSGKJH-UHFFFAOYSA-N
MW386.45 g/mol
LogP2.66
Rot. Bonds8

About 3,4-dimethoxy-N-[2-[1-(2-methoxyphenyl)ethyl-methylamino]-2-oxoethyl]benzamide

3,4-dimethoxy-N-[2-[1-(2-methoxyphenyl)ethyl-methylamino]-2-oxoethyl]benzamide (PubChem CID 55580515) has the molecular formula C21H26N2O5 and a molecular weight of 386.45 g/mol. Its IUPAC name is 3,4-dimethoxy-N-[2-[1-(2-methoxyphenyl)ethyl-methylamino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-[2-[1-(2-methoxyphenyl)ethyl-methylamino]-2-oxoethyl]benzamide
PubChem CID55580515
Molecular FormulaC21H26N2O5
Molecular Weight386.45 g/mol
Exact Mass386.18
IUPAC Name3,4-dimethoxy-N-[2-[1-(2-methoxyphenyl)ethyl-methylamino]-2-oxoethyl]benzamide
SMILESCOc1ccc(C(=O)NCC(=O)N(C)C(C)c2ccccc2OC)cc1OC
InChIInChI=1S/C21H26N2O5/c1-14(16-8-6-7-9-17(16)26-3)23(2)20(24)13-22-21(25)15-10-11-18(27-4)19(12-15)28-5/h6-12,14H,13H2,1-5H3,(H,22,25)
InChIKeyXZJIHBSLPSGKJH-UHFFFAOYSA-N
XLogP2.66
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[1-(2-methoxyphenyl)ethyl-methylamino]-2-oxoethyl]thiophene-2-carboxamide
CID 134054612
5-bromo-N-[2-[1-(2-methoxyphenyl)ethyl-methylamino]-2-oxoethyl]furan-2-carboxamide
CID 55580820
2-(3,4-dimethoxyphenyl)-N-[1-(2-methoxyphenyl)ethyl]-N-methylacetamide
CID 75871944
N-[2-[(2-chlorophenyl)methyl-methylamino]-2-oxoethyl]-3,4-dimethoxybenzamide
CID 17480746
2-[[2-[(3,4-dimethoxybenzoyl)amino]acetyl]-propan-2-ylamino]acetic acid
CID 120518167
3,4-dimethoxy-N-[2-(2-propan-2-ylphenoxy)ethyl]benzamide
CID 99099115
3-[[2-[(3,4-dimethoxybenzoyl)amino]acetyl]-propan-2-ylamino]propanoic acid
CID 120519938
2-(butan-2-ylamino)-N-[1-(2-methoxyphenyl)ethyl]-N-methylacetamide
CID 60939770
2-[[2-[(3,4-dimethoxybenzoyl)amino]acetyl]-methylamino]-2-methylpropanoic acid
CID 120518643
N-(3-aminobutyl)-3,4-dimethoxybenzamide
CID 63253883
N-[2-(3,4-dimethoxy-N-methylanilino)-2-oxoethyl]benzamide
CID 110667730
3,4-dimethoxy-N-[2-[methyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]benzamide
CID 31239710

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-[2-[1-(2-methoxyphenyl)ethyl-methylamino]-2-oxoethyl]benzamide?
The IUPAC name of 3,4-dimethoxy-N-[2-[1-(2-methoxyphenyl)ethyl-methylamino]-2-oxoethyl]benzamide (CID 55580515) is 3,4-dimethoxy-N-[2-[1-(2-methoxyphenyl)ethyl-methylamino]-2-oxoethyl]benzamide.
What is the SMILES notation for 3,4-dimethoxy-N-[2-[1-(2-methoxyphenyl)ethyl-methylamino]-2-oxoethyl]benzamide?
The canonical SMILES for 3,4-dimethoxy-N-[2-[1-(2-methoxyphenyl)ethyl-methylamino]-2-oxoethyl]benzamide is COc1ccc(C(=O)NCC(=O)N(C)C(C)c2ccccc2OC)cc1OC.
What is the InChIKey of 3,4-dimethoxy-N-[2-[1-(2-methoxyphenyl)ethyl-methylamino]-2-oxoethyl]benzamide?
The InChIKey is XZJIHBSLPSGKJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O5/c1-14(16-8-6-7-9-17(16)26-3)23(2)20(24)13-22-21(25)15-10-11-18(27-4)19(12-15)28-5/h6-12,14H,13H2,1-5H3,(H,22,25).
What are the key properties of 3,4-dimethoxy-N-[2-[1-(2-methoxyphenyl)ethyl-methylamino]-2-oxoethyl]benzamide?
3,4-dimethoxy-N-[2-[1-(2-methoxyphenyl)ethyl-methylamino]-2-oxoethyl]benzamide has a molecular weight of 386.45 g/mol, XLogP of 2.66, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-[2-[1-(2-methoxyphenyl)ethyl-methylamino]-2-oxoethyl]benzamide is sourced from PubChem (CID 55580515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).