4-ethoxy-N,N-dimethyl-3-[[2-methyl-3-(methylamino)propanoyl]amino]benzamide

C16H25N3O3 — CID 119816573

IUPAC4-ethoxy-N,N-dimethyl-3-[[2-methyl-3-(methylamino)propanoyl]amino]benzamide
SMILESCCOc1ccc(C(=O)N(C)C)cc1NC(=O)C(C)CNC
InChIInChI=1S/C16H25N3O3/c1-6-22-14-8-7-12(16(21)19(4)5)9-13(14)18-15(20)11(2)10-17-3/h7-9,11,17H,6,10H2,1-5H3,(H,18,20)
InChIKeyYQZYOHFIXBBDQU-UHFFFAOYSA-N
MW307.39 g/mol
LogP1.58
Rot. Bonds7

About 4-ethoxy-N,N-dimethyl-3-[[2-methyl-3-(methylamino)propanoyl]amino]benzamide

4-ethoxy-N,N-dimethyl-3-[[2-methyl-3-(methylamino)propanoyl]amino]benzamide (PubChem CID 119816573) has the molecular formula C16H25N3O3 and a molecular weight of 307.39 g/mol. Its IUPAC name is 4-ethoxy-N,N-dimethyl-3-[[2-methyl-3-(methylamino)propanoyl]amino]benzamide.

Molecular Properties

Compound Name4-ethoxy-N,N-dimethyl-3-[[2-methyl-3-(methylamino)propanoyl]amino]benzamide
PubChem CID119816573
Molecular FormulaC16H25N3O3
Molecular Weight307.39 g/mol
Exact Mass307.19
IUPAC Name4-ethoxy-N,N-dimethyl-3-[[2-methyl-3-(methylamino)propanoyl]amino]benzamide
SMILESCCOc1ccc(C(=O)N(C)C)cc1NC(=O)C(C)CNC
InChIInChI=1S/C16H25N3O3/c1-6-22-14-8-7-12(16(21)19(4)5)9-13(14)18-15(20)11(2)10-17-3/h7-9,11,17H,6,10H2,1-5H3,(H,18,20)
InChIKeyYQZYOHFIXBBDQU-UHFFFAOYSA-N
XLogP1.58
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-aminopentanoylamino)-4-ethoxy-N,N-dimethylbenzamide;hydrochloride
CID 119342429
3,4-diethoxy-N,N-dimethylbenzamide
CID 3370911
5-[5-(dimethylcarbamoyl)-2-ethoxyanilino]-3,3-dimethyl-5-oxopentanoic acid
CID 119148530
N-(2-bromo-4,5-diethoxyphenyl)-2-methyl-3-(methylamino)propanamide
CID 119745066
N-[4-ethoxy-3-(hydroxymethyl)phenyl]-2-methyl-3-(methylamino)propanamide
CID 79201568
4-(2-aminopentanoylamino)-3-ethoxy-N,N-dimethylbenzamide;hydrochloride
CID 119340157
5-amino-N-[5-(dimethylcarbamoyl)-2-ethoxyphenyl]-2-methylbenzamide
CID 120638221
4-methoxy-N,N-dimethyl-3-[(3-methyl-2-phenylpentanoyl)amino]benzamide
CID 60537571
4-methoxy-N,N-dimethyl-3-(propylcarbamoylamino)benzamide
CID 47325512
4,5-dimethoxy-N,N-dimethyl-2-[[2-methyl-3-(methylamino)propanoyl]amino]benzamide
CID 119719067
3-[[4-(dimethylcarbamoyl)-2-ethoxyphenyl]carbamoyl-methylamino]-2-methylpropanoic acid
CID 122086227
4-[(3-amino-2-methyl-3-phenylpropanoyl)amino]-3-ethoxy-N,N-dimethylbenzamide;hydrochloride
CID 119812590

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N,N-dimethyl-3-[[2-methyl-3-(methylamino)propanoyl]amino]benzamide?
The IUPAC name of 4-ethoxy-N,N-dimethyl-3-[[2-methyl-3-(methylamino)propanoyl]amino]benzamide (CID 119816573) is 4-ethoxy-N,N-dimethyl-3-[[2-methyl-3-(methylamino)propanoyl]amino]benzamide.
What is the SMILES notation for 4-ethoxy-N,N-dimethyl-3-[[2-methyl-3-(methylamino)propanoyl]amino]benzamide?
The canonical SMILES for 4-ethoxy-N,N-dimethyl-3-[[2-methyl-3-(methylamino)propanoyl]amino]benzamide is CCOc1ccc(C(=O)N(C)C)cc1NC(=O)C(C)CNC.
What is the InChIKey of 4-ethoxy-N,N-dimethyl-3-[[2-methyl-3-(methylamino)propanoyl]amino]benzamide?
The InChIKey is YQZYOHFIXBBDQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3/c1-6-22-14-8-7-12(16(21)19(4)5)9-13(14)18-15(20)11(2)10-17-3/h7-9,11,17H,6,10H2,1-5H3,(H,18,20).
What are the key properties of 4-ethoxy-N,N-dimethyl-3-[[2-methyl-3-(methylamino)propanoyl]amino]benzamide?
4-ethoxy-N,N-dimethyl-3-[[2-methyl-3-(methylamino)propanoyl]amino]benzamide has a molecular weight of 307.39 g/mol, XLogP of 1.58, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N,N-dimethyl-3-[[2-methyl-3-(methylamino)propanoyl]amino]benzamide is sourced from PubChem (CID 119816573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).