4-[2-[(4-ethoxyphenyl)methyl-methylamino]propanoylamino]-N-(2-methoxyphenyl)benzamide

C27H31N3O4 — CID 46801521

IUPAC4-[2-[(4-ethoxyphenyl)methyl-methylamino]propanoylamino]-N-(2-methoxyphenyl)benzamide
SMILESCCOc1ccc(CN(C)C(C)C(=O)Nc2ccc(C(=O)Nc3ccccc3OC)cc2)cc1
InChIInChI=1S/C27H31N3O4/c1-5-34-23-16-10-20(11-17-23)18-30(3)19(2)26(31)28-22-14-12-21(13-15-22)27(32)29-24-8-6-7-9-25(24)33-4/h6-17,19H,5,18H2,1-4H3,(H,28,31)(H,29,32)
InChIKeyAWICDXQGDDWGKF-UHFFFAOYSA-N
MW461.56 g/mol
LogP4.81
Rot. Bonds10

About 4-[2-[(4-ethoxyphenyl)methyl-methylamino]propanoylamino]-N-(2-methoxyphenyl)benzamide

4-[2-[(4-ethoxyphenyl)methyl-methylamino]propanoylamino]-N-(2-methoxyphenyl)benzamide (PubChem CID 46801521) has the molecular formula C27H31N3O4 and a molecular weight of 461.56 g/mol. Its IUPAC name is 4-[2-[(4-ethoxyphenyl)methyl-methylamino]propanoylamino]-N-(2-methoxyphenyl)benzamide.

Molecular Properties

Compound Name4-[2-[(4-ethoxyphenyl)methyl-methylamino]propanoylamino]-N-(2-methoxyphenyl)benzamide
PubChem CID46801521
Molecular FormulaC27H31N3O4
Molecular Weight461.56 g/mol
Exact Mass461.23
IUPAC Name4-[2-[(4-ethoxyphenyl)methyl-methylamino]propanoylamino]-N-(2-methoxyphenyl)benzamide
SMILESCCOc1ccc(CN(C)C(C)C(=O)Nc2ccc(C(=O)Nc3ccccc3OC)cc2)cc1
InChIInChI=1S/C27H31N3O4/c1-5-34-23-16-10-20(11-17-23)18-30(3)19(2)26(31)28-22-14-12-21(13-15-22)27(32)29-24-8-6-7-9-25(24)33-4/h6-17,19H,5,18H2,1-4H3,(H,28,31)(H,29,32)
InChIKeyAWICDXQGDDWGKF-UHFFFAOYSA-N
XLogP4.81
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.56
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-[benzyl(methyl)amino]-N-(4-ethoxyphenyl)propanamide
CID 9274605
(2S)-2-[(4-ethoxyphenyl)methyl-methylamino]-N-(4-ethylphenyl)propanamide
CID 8515256
4-[[(2S)-2-[(2,3-dichlorophenyl)methyl-methylamino]propanoyl]amino]-N-(2-methoxyphenyl)benzamide
CID 27222135
4-[2-[(5-chlorothiophen-2-yl)methyl-methylamino]propanoylamino]-N-(2-methoxyphenyl)benzamide
CID 55361798
2-[benzyl(methyl)amino]-N-(2-methoxyphenyl)propanamide
CID 42911817
(2R)-N-(5-chloro-2-methoxyphenyl)-2-[(4-ethoxyphenyl)methyl-methylamino]propanamide
CID 8024150
N-(2-methoxyphenyl)-2-[methyl-[[4-(trifluoromethoxy)phenyl]methyl]amino]propanamide
CID 46573624
N-(2-methoxyphenyl)-4-[(4-propoxybenzoyl)amino]benzamide
CID 4879742
(2S)-2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-N-(2-methoxyphenyl)propanamide
CID 9054255
N-(2-ethoxyphenyl)-4-[(4-methoxybenzoyl)amino]benzamide
CID 2222263
(2S)-N-(2-ethoxyphenyl)-2-[methyl-[(4-propan-2-ylphenyl)methyl]amino]propanamide
CID 40761080
2-ethoxy-N-[4-[(2-methoxyphenyl)carbamoyl]phenyl]benzamide
CID 26522658

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(4-ethoxyphenyl)methyl-methylamino]propanoylamino]-N-(2-methoxyphenyl)benzamide?
The IUPAC name of 4-[2-[(4-ethoxyphenyl)methyl-methylamino]propanoylamino]-N-(2-methoxyphenyl)benzamide (CID 46801521) is 4-[2-[(4-ethoxyphenyl)methyl-methylamino]propanoylamino]-N-(2-methoxyphenyl)benzamide.
What is the SMILES notation for 4-[2-[(4-ethoxyphenyl)methyl-methylamino]propanoylamino]-N-(2-methoxyphenyl)benzamide?
The canonical SMILES for 4-[2-[(4-ethoxyphenyl)methyl-methylamino]propanoylamino]-N-(2-methoxyphenyl)benzamide is CCOc1ccc(CN(C)C(C)C(=O)Nc2ccc(C(=O)Nc3ccccc3OC)cc2)cc1.
What is the InChIKey of 4-[2-[(4-ethoxyphenyl)methyl-methylamino]propanoylamino]-N-(2-methoxyphenyl)benzamide?
The InChIKey is AWICDXQGDDWGKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N3O4/c1-5-34-23-16-10-20(11-17-23)18-30(3)19(2)26(31)28-22-14-12-21(13-15-22)27(32)29-24-8-6-7-9-25(24)33-4/h6-17,19H,5,18H2,1-4H3,(H,28,31)(H,29,32).
What are the key properties of 4-[2-[(4-ethoxyphenyl)methyl-methylamino]propanoylamino]-N-(2-methoxyphenyl)benzamide?
4-[2-[(4-ethoxyphenyl)methyl-methylamino]propanoylamino]-N-(2-methoxyphenyl)benzamide has a molecular weight of 461.56 g/mol, XLogP of 4.81, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(4-ethoxyphenyl)methyl-methylamino]propanoylamino]-N-(2-methoxyphenyl)benzamide is sourced from PubChem (CID 46801521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).