4-[[2-(dimethylamino)acetyl]amino]-N-methylbenzamide

C12H17N3O2 — CID 54843994

IUPAC4-[[2-(dimethylamino)acetyl]amino]-N-methylbenzamide
SMILESCNC(=O)c1ccc(NC(=O)CN(C)C)cc1
InChIInChI=1S/C12H17N3O2/c1-13-12(17)9-4-6-10(7-5-9)14-11(16)8-15(2)3/h4-7H,8H2,1-3H3,(H,13,17)(H,14,16)
InChIKeyDOCVGRYKVDJIJS-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.55
Rot. Bonds4

About 4-[[2-(dimethylamino)acetyl]amino]-N-methylbenzamide

4-[[2-(dimethylamino)acetyl]amino]-N-methylbenzamide (PubChem CID 54843994) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 4-[[2-(dimethylamino)acetyl]amino]-N-methylbenzamide.

Molecular Properties

Compound Name4-[[2-(dimethylamino)acetyl]amino]-N-methylbenzamide
PubChem CID54843994
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name4-[[2-(dimethylamino)acetyl]amino]-N-methylbenzamide
SMILESCNC(=O)c1ccc(NC(=O)CN(C)C)cc1
InChIInChI=1S/C12H17N3O2/c1-13-12(17)9-4-6-10(7-5-9)14-11(16)8-15(2)3/h4-7H,8H2,1-3H3,(H,13,17)(H,14,16)
InChIKeyDOCVGRYKVDJIJS-UHFFFAOYSA-N
XLogP0.55
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-4-[[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]methyl]benzamide
CID 9003162
4-[[2-(dimethylamino)acetyl]amino]-N,N-diethylbenzamide
CID 54843896
2-(dimethylamino)-N-[4-(dimethylamino)phenyl]acetamide
CID 18870888
4-[[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl]amino]-N-methylbenzamide
CID 54846187
4-[(2-cyanoacetyl)amino]-N-methylbenzamide
CID 168524250
N-methyl-4-[[2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]acetyl]amino]benzamide
CID 8814792
4-[[2-[4-[acetyl(methyl)amino]anilino]acetyl]amino]-N-methylbenzamide
CID 54811210
[2-(dimethylamino)-2-oxoethyl]-methyl-[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl]azanium
CID 8695103
N-methyl-4-[[2-[methyl(thiophen-2-ylsulfonyl)amino]acetyl]amino]benzamide
CID 9429046
N-[4-(azepane-1-carbonyl)phenyl]-2-(dimethylamino)acetamide
CID 54843928
4-[[2-(4-butylphenyl)acetyl]amino]-N-methylbenzamide
CID 29442727
2-(dimethylamino)-N-[4-(4-phenylbuta-1,3-diynyl)phenyl]acetamide
CID 22040342

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(dimethylamino)acetyl]amino]-N-methylbenzamide?
The IUPAC name of 4-[[2-(dimethylamino)acetyl]amino]-N-methylbenzamide (CID 54843994) is 4-[[2-(dimethylamino)acetyl]amino]-N-methylbenzamide.
What is the SMILES notation for 4-[[2-(dimethylamino)acetyl]amino]-N-methylbenzamide?
The canonical SMILES for 4-[[2-(dimethylamino)acetyl]amino]-N-methylbenzamide is CNC(=O)c1ccc(NC(=O)CN(C)C)cc1.
What is the InChIKey of 4-[[2-(dimethylamino)acetyl]amino]-N-methylbenzamide?
The InChIKey is DOCVGRYKVDJIJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-13-12(17)9-4-6-10(7-5-9)14-11(16)8-15(2)3/h4-7H,8H2,1-3H3,(H,13,17)(H,14,16).
What are the key properties of 4-[[2-(dimethylamino)acetyl]amino]-N-methylbenzamide?
4-[[2-(dimethylamino)acetyl]amino]-N-methylbenzamide has a molecular weight of 235.29 g/mol, XLogP of 0.55, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(dimethylamino)acetyl]amino]-N-methylbenzamide is sourced from PubChem (CID 54843994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).