N-[2-(3,4-dimethoxyphenyl)ethyl]-4-[(4-methoxybenzoyl)amino]benzamide

C25H26N2O5 — CID 1300194

IUPACN-[2-(3,4-dimethoxyphenyl)ethyl]-4-[(4-methoxybenzoyl)amino]benzamide
SMILESCOc1ccc(C(=O)Nc2ccc(C(=O)NCCc3ccc(OC)c(OC)c3)cc2)cc1
InChIInChI=1S/C25H26N2O5/c1-30-21-11-7-19(8-12-21)25(29)27-20-9-5-18(6-10-20)24(28)26-15-14-17-4-13-22(31-2)23(16-17)32-3/h4-13,16H,14-15H2,1-3H3,(H,26,28)(H,27,29)
InChIKeyJSNHVPQVGAUQQT-UHFFFAOYSA-N
MW434.49 g/mol
LogP3.94
Rot. Bonds9

About N-[2-(3,4-dimethoxyphenyl)ethyl]-4-[(4-methoxybenzoyl)amino]benzamide

N-[2-(3,4-dimethoxyphenyl)ethyl]-4-[(4-methoxybenzoyl)amino]benzamide (PubChem CID 1300194) has the molecular formula C25H26N2O5 and a molecular weight of 434.49 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)ethyl]-4-[(4-methoxybenzoyl)amino]benzamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)ethyl]-4-[(4-methoxybenzoyl)amino]benzamide
PubChem CID1300194
Molecular FormulaC25H26N2O5
Molecular Weight434.49 g/mol
Exact Mass434.18
IUPAC NameN-[2-(3,4-dimethoxyphenyl)ethyl]-4-[(4-methoxybenzoyl)amino]benzamide
SMILESCOc1ccc(C(=O)Nc2ccc(C(=O)NCCc3ccc(OC)c(OC)c3)cc2)cc1
InChIInChI=1S/C25H26N2O5/c1-30-21-11-7-19(8-12-21)25(29)27-20-9-5-18(6-10-20)24(28)26-15-14-17-4-13-22(31-2)23(16-17)32-3/h4-13,16H,14-15H2,1-3H3,(H,26,28)(H,27,29)
InChIKeyJSNHVPQVGAUQQT-UHFFFAOYSA-N
XLogP3.94
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.49
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Vesnarinone
CID 5663
Ecabapide
CID 65885
1-(4-(4-(Benzo[d][1,3]dioxole-5-carbonyl)piperazin-1-yl)phenyl)ethanone
CID 1245700
4-Dimethylamino-3',4'-dimethoxychalcone
CID 6156423
3-Methoxy-O-demethylencainide
CID 54737
Benzamide, N-(3,4-dimethoxyphenyl)-N-(3-((2-(3,4-dimethoxyphenyl)ethyl)methylamino)propyl)-4-nitro-
CID 656771
3,4,5-Trimethoxybenzanilide
CID 305103
2-benzamido-N-[4-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]phenyl]benzamide
CID 15511439
N-benzyl-2-[(4-carbamimidoylphenyl)amino]-2-(3,4-dimethoxyphenyl)acetamide
CID 23283331
N-[[2-(diethylaminomethyl)phenyl]methyl]-3-[(4-methoxybenzoyl)amino]benzamide
CID 156145621
N-[4-(diethylamino)phenyl]-1,3-benzodioxole-5-carboxamide
CID 844944
3,4-dimethoxy-N-(2-phenylethyl)benzamide
CID 819330

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-4-[(4-methoxybenzoyl)amino]benzamide?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-4-[(4-methoxybenzoyl)amino]benzamide (CID 1300194) is N-[2-(3,4-dimethoxyphenyl)ethyl]-4-[(4-methoxybenzoyl)amino]benzamide.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)ethyl]-4-[(4-methoxybenzoyl)amino]benzamide?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)ethyl]-4-[(4-methoxybenzoyl)amino]benzamide is COc1ccc(C(=O)Nc2ccc(C(=O)NCCc3ccc(OC)c(OC)c3)cc2)cc1.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)ethyl]-4-[(4-methoxybenzoyl)amino]benzamide?
The InChIKey is JSNHVPQVGAUQQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O5/c1-30-21-11-7-19(8-12-21)25(29)27-20-9-5-18(6-10-20)24(28)26-15-14-17-4-13-22(31-2)23(16-17)32-3/h4-13,16H,14-15H2,1-3H3,(H,26,28)(H,27,29).
What are the key properties of N-[2-(3,4-dimethoxyphenyl)ethyl]-4-[(4-methoxybenzoyl)amino]benzamide?
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-[(4-methoxybenzoyl)amino]benzamide has a molecular weight of 434.49 g/mol, XLogP of 3.94, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)ethyl]-4-[(4-methoxybenzoyl)amino]benzamide is sourced from PubChem (CID 1300194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).