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

C21H27N3O3 — CID 8695112

IUPAC3-[[2-[(4-ethoxyphenyl)methyl-methylamino]acetyl]amino]-N-ethylbenzamide
SMILESCCNC(=O)c1cccc(NC(=O)CN(C)Cc2ccc(OCC)cc2)c1
InChIInChI=1S/C21H27N3O3/c1-4-22-21(26)17-7-6-8-18(13-17)23-20(25)15-24(3)14-16-9-11-19(12-10-16)27-5-2/h6-13H,4-5,14-15H2,1-3H3,(H,22,26)(H,23,25)
InChIKeyLLTCYSQIEWAQIZ-UHFFFAOYSA-N
MW369.47 g/mol
LogP2.91
Rot. Bonds9

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

3-[[2-[(4-ethoxyphenyl)methyl-methylamino]acetyl]amino]-N-ethylbenzamide (PubChem CID 8695112) has the molecular formula C21H27N3O3 and a molecular weight of 369.47 g/mol. Its IUPAC name is 3-[[2-[(4-ethoxyphenyl)methyl-methylamino]acetyl]amino]-N-ethylbenzamide.

Molecular Properties

Compound Name3-[[2-[(4-ethoxyphenyl)methyl-methylamino]acetyl]amino]-N-ethylbenzamide
PubChem CID8695112
Molecular FormulaC21H27N3O3
Molecular Weight369.47 g/mol
Exact Mass369.21
IUPAC Name3-[[2-[(4-ethoxyphenyl)methyl-methylamino]acetyl]amino]-N-ethylbenzamide
SMILESCCNC(=O)c1cccc(NC(=O)CN(C)Cc2ccc(OCC)cc2)c1
InChIInChI=1S/C21H27N3O3/c1-4-22-21(26)17-7-6-8-18(13-17)23-20(25)15-24(3)14-16-9-11-19(12-10-16)27-5-2/h6-13H,4-5,14-15H2,1-3H3,(H,22,26)(H,23,25)
InChIKeyLLTCYSQIEWAQIZ-UHFFFAOYSA-N
XLogP2.91
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]acetyl]amino]-N-ethylbenzamide
CID 8694848
3-[[2-(4-ethoxyanilino)acetyl]amino]-N-ethylbenzamide
CID 54811015
N-ethyl-3-[[2-[methyl-[2-(methylamino)-2-oxoethyl]amino]acetyl]amino]benzamide
CID 78825883
methyl 3-[[2-[(4-methoxyphenyl)methyl-methylamino]acetyl]amino]benzoate
CID 31632489
3-[[2-[(4-ethylphenyl)methyl-methylamino]acetyl]amino]-N,N-dimethylbenzamide
CID 33437863
methyl 4-[[2-[(4-ethoxyphenyl)methyl-methylamino]acetyl]amino]benzoate
CID 8799418
N-ethyl-3-[[2-(4-methoxyphenyl)acetyl]amino]benzamide
CID 17230663
N-(2,6-dimethylphenyl)-2-[(4-ethoxyphenyl)methyl-methylamino]acetamide
CID 8799242
N-(4-ethoxyphenyl)-2-[(3-methoxyphenyl)methyl-methylamino]acetamide
CID 8794745
3-[[2-(2,5-diethoxyanilino)acetyl]amino]-N-ethylbenzamide
CID 41397412
3-[[2-(4-cyanophenoxy)acetyl]amino]-N-ethylbenzamide
CID 26171733
methyl 3-[[2-(4-ethoxyphenyl)acetyl]amino]benzoate
CID 17414832

Frequently Asked Questions

What is the IUPAC name of 3-[[2-[(4-ethoxyphenyl)methyl-methylamino]acetyl]amino]-N-ethylbenzamide?
The IUPAC name of 3-[[2-[(4-ethoxyphenyl)methyl-methylamino]acetyl]amino]-N-ethylbenzamide (CID 8695112) is 3-[[2-[(4-ethoxyphenyl)methyl-methylamino]acetyl]amino]-N-ethylbenzamide.
What is the SMILES notation for 3-[[2-[(4-ethoxyphenyl)methyl-methylamino]acetyl]amino]-N-ethylbenzamide?
The canonical SMILES for 3-[[2-[(4-ethoxyphenyl)methyl-methylamino]acetyl]amino]-N-ethylbenzamide is CCNC(=O)c1cccc(NC(=O)CN(C)Cc2ccc(OCC)cc2)c1.
What is the InChIKey of 3-[[2-[(4-ethoxyphenyl)methyl-methylamino]acetyl]amino]-N-ethylbenzamide?
The InChIKey is LLTCYSQIEWAQIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3/c1-4-22-21(26)17-7-6-8-18(13-17)23-20(25)15-24(3)14-16-9-11-19(12-10-16)27-5-2/h6-13H,4-5,14-15H2,1-3H3,(H,22,26)(H,23,25).
What are the key properties of 3-[[2-[(4-ethoxyphenyl)methyl-methylamino]acetyl]amino]-N-ethylbenzamide?
3-[[2-[(4-ethoxyphenyl)methyl-methylamino]acetyl]amino]-N-ethylbenzamide has a molecular weight of 369.47 g/mol, XLogP of 2.91, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[(4-ethoxyphenyl)methyl-methylamino]acetyl]amino]-N-ethylbenzamide is sourced from PubChem (CID 8695112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).