3-[[2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]acetyl]amino]-N-ethylbenzamide

C22H29N3O4 — CID 8694848

IUPAC3-[[2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]acetyl]amino]-N-ethylbenzamide
SMILESCCNC(=O)c1cccc(NC(=O)CN(C)Cc2ccc(OCC)c(OC)c2)c1
InChIInChI=1S/C22H29N3O4/c1-5-23-22(27)17-8-7-9-18(13-17)24-21(26)15-25(3)14-16-10-11-19(29-6-2)20(12-16)28-4/h7-13H,5-6,14-15H2,1-4H3,(H,23,27)(H,24,26)
InChIKeyLRCHXNZTRXEICN-UHFFFAOYSA-N
MW399.49 g/mol
LogP2.91
Rot. Bonds10

About 3-[[2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]acetyl]amino]-N-ethylbenzamide

3-[[2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]acetyl]amino]-N-ethylbenzamide (PubChem CID 8694848) has the molecular formula C22H29N3O4 and a molecular weight of 399.49 g/mol. Its IUPAC name is 3-[[2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]acetyl]amino]-N-ethylbenzamide.

Molecular Properties

Compound Name3-[[2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]acetyl]amino]-N-ethylbenzamide
PubChem CID8694848
Molecular FormulaC22H29N3O4
Molecular Weight399.49 g/mol
Exact Mass399.22
IUPAC Name3-[[2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]acetyl]amino]-N-ethylbenzamide
SMILESCCNC(=O)c1cccc(NC(=O)CN(C)Cc2ccc(OCC)c(OC)c2)c1
InChIInChI=1S/C22H29N3O4/c1-5-23-22(27)17-8-7-9-18(13-17)24-21(26)15-25(3)14-16-10-11-19(29-6-2)20(12-16)28-4/h7-13H,5-6,14-15H2,1-4H3,(H,23,27)(H,24,26)
InChIKeyLRCHXNZTRXEICN-UHFFFAOYSA-N
XLogP2.91
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.49
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[2-[(4-ethoxyphenyl)methyl-methylamino]acetyl]amino]-N-ethylbenzamide
CID 8695112
2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 8798546
N,N-diethyl-3-[[2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]acetyl]amino]benzamide
CID 8681454
N-(2,5-dimethoxyphenyl)-2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]acetamide
CID 2656790
N-ethyl-3-[[2-[methyl-[2-(methylamino)-2-oxoethyl]amino]acetyl]amino]benzamide
CID 78825883
N-(2,4-dimethoxyphenyl)-2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]acetamide
CID 8798696
2-[(3,4-dimethoxyphenyl)methyl-methylamino]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 2698870
ethyl 4-[[2-[(3,4-dimethoxyphenyl)methyl-methylamino]acetyl]amino]benzoate
CID 9100437
2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]-N-[2-(2-methylphenyl)ethyl]acetamide
CID 8694826
N-(2-bromo-4-methylphenyl)-2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]acetamide
CID 2698320
3-[(4-ethoxy-3-methoxybenzoyl)amino]benzoic acid
CID 45426053
N-ethyl-3-[[2-(4-methoxyphenyl)acetyl]amino]benzamide
CID 17230663

Frequently Asked Questions

What is the IUPAC name of 3-[[2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]acetyl]amino]-N-ethylbenzamide?
The IUPAC name of 3-[[2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]acetyl]amino]-N-ethylbenzamide (CID 8694848) is 3-[[2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]acetyl]amino]-N-ethylbenzamide.
What is the SMILES notation for 3-[[2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]acetyl]amino]-N-ethylbenzamide?
The canonical SMILES for 3-[[2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]acetyl]amino]-N-ethylbenzamide is CCNC(=O)c1cccc(NC(=O)CN(C)Cc2ccc(OCC)c(OC)c2)c1.
What is the InChIKey of 3-[[2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]acetyl]amino]-N-ethylbenzamide?
The InChIKey is LRCHXNZTRXEICN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O4/c1-5-23-22(27)17-8-7-9-18(13-17)24-21(26)15-25(3)14-16-10-11-19(29-6-2)20(12-16)28-4/h7-13H,5-6,14-15H2,1-4H3,(H,23,27)(H,24,26).
What are the key properties of 3-[[2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]acetyl]amino]-N-ethylbenzamide?
3-[[2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]acetyl]amino]-N-ethylbenzamide has a molecular weight of 399.49 g/mol, XLogP of 2.91, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]acetyl]amino]-N-ethylbenzamide is sourced from PubChem (CID 8694848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).