3-[[2-[(4-ethylphenyl)methyl-methylamino]acetyl]amino]-N,N-dimethylbenzamide

C21H27N3O2 — CID 33437863

IUPAC3-[[2-[(4-ethylphenyl)methyl-methylamino]acetyl]amino]-N,N-dimethylbenzamide
SMILESCCc1ccc(CN(C)CC(=O)Nc2cccc(C(=O)N(C)C)c2)cc1
InChIInChI=1S/C21H27N3O2/c1-5-16-9-11-17(12-10-16)14-24(4)15-20(25)22-19-8-6-7-18(13-19)21(26)23(2)3/h6-13H,5,14-15H2,1-4H3,(H,22,25)
InChIKeyQEMZQCQDFJTQBY-UHFFFAOYSA-N
MW353.47 g/mol
LogP3.02
Rot. Bonds7

About 3-[[2-[(4-ethylphenyl)methyl-methylamino]acetyl]amino]-N,N-dimethylbenzamide

3-[[2-[(4-ethylphenyl)methyl-methylamino]acetyl]amino]-N,N-dimethylbenzamide (PubChem CID 33437863) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is 3-[[2-[(4-ethylphenyl)methyl-methylamino]acetyl]amino]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name3-[[2-[(4-ethylphenyl)methyl-methylamino]acetyl]amino]-N,N-dimethylbenzamide
PubChem CID33437863
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC Name3-[[2-[(4-ethylphenyl)methyl-methylamino]acetyl]amino]-N,N-dimethylbenzamide
SMILESCCc1ccc(CN(C)CC(=O)Nc2cccc(C(=O)N(C)C)c2)cc1
InChIInChI=1S/C21H27N3O2/c1-5-16-9-11-17(12-10-16)14-24(4)15-20(25)22-19-8-6-7-18(13-19)21(26)23(2)3/h6-13H,5,14-15H2,1-4H3,(H,22,25)
InChIKeyQEMZQCQDFJTQBY-UHFFFAOYSA-N
XLogP3.02
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dimethyl-3-[[2-[methyl(thiophen-3-ylmethyl)amino]acetyl]amino]benzamide
CID 34598248
methyl 3-[[2-[(4-methoxyphenyl)methyl-methylamino]acetyl]amino]benzoate
CID 31632489
N-(3-fluorophenyl)-2-[(4-fluorophenyl)methyl-methylamino]acetamide
CID 2714145
N,N'-bis[3-(dimethylcarbamoyl)phenyl]butanediamide
CID 17232267
3-[[2-[(4-ethoxyphenyl)methyl-methylamino]acetyl]amino]-N-ethylbenzamide
CID 8695112
4-[[2-[benzyl(methyl)amino]acetyl]amino]-N,N-dimethylbenzamide
CID 8900899
N-(3-bromophenyl)-2-[(4-fluorophenyl)methyl-methylamino]acetamide
CID 2658798
N-(3-chlorophenyl)-2-[(4-chlorophenyl)methyl-methylamino]acetamide
CID 9041038
3-[[2-(4-chlorophenyl)acetyl]amino]-N,N-dimethylbenzamide
CID 17231829
N-(3-fluorophenyl)-2-[(3-fluorophenyl)methyl-methylamino]acetamide
CID 9223772
N,N-diethyl-3-[[2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]acetyl]amino]benzamide
CID 8681454
3-[(4-ethylphenyl)sulfonylamino]-N,N-dimethylbenzamide
CID 24629312

Frequently Asked Questions

What is the IUPAC name of 3-[[2-[(4-ethylphenyl)methyl-methylamino]acetyl]amino]-N,N-dimethylbenzamide?
The IUPAC name of 3-[[2-[(4-ethylphenyl)methyl-methylamino]acetyl]amino]-N,N-dimethylbenzamide (CID 33437863) is 3-[[2-[(4-ethylphenyl)methyl-methylamino]acetyl]amino]-N,N-dimethylbenzamide.
What is the SMILES notation for 3-[[2-[(4-ethylphenyl)methyl-methylamino]acetyl]amino]-N,N-dimethylbenzamide?
The canonical SMILES for 3-[[2-[(4-ethylphenyl)methyl-methylamino]acetyl]amino]-N,N-dimethylbenzamide is CCc1ccc(CN(C)CC(=O)Nc2cccc(C(=O)N(C)C)c2)cc1.
What is the InChIKey of 3-[[2-[(4-ethylphenyl)methyl-methylamino]acetyl]amino]-N,N-dimethylbenzamide?
The InChIKey is QEMZQCQDFJTQBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-5-16-9-11-17(12-10-16)14-24(4)15-20(25)22-19-8-6-7-18(13-19)21(26)23(2)3/h6-13H,5,14-15H2,1-4H3,(H,22,25).
What are the key properties of 3-[[2-[(4-ethylphenyl)methyl-methylamino]acetyl]amino]-N,N-dimethylbenzamide?
3-[[2-[(4-ethylphenyl)methyl-methylamino]acetyl]amino]-N,N-dimethylbenzamide has a molecular weight of 353.47 g/mol, XLogP of 3.02, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[(4-ethylphenyl)methyl-methylamino]acetyl]amino]-N,N-dimethylbenzamide is sourced from PubChem (CID 33437863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).