4-[[2-(butylamino)acetyl]amino]-N,N-dimethylbenzamide

C15H23N3O2 — CID 54815422

IUPAC4-[[2-(butylamino)acetyl]amino]-N,N-dimethylbenzamide
SMILESCCCCNCC(=O)Nc1ccc(C(=O)N(C)C)cc1
InChIInChI=1S/C15H23N3O2/c1-4-5-10-16-11-14(19)17-13-8-6-12(7-9-13)15(20)18(2)3/h6-9,16H,4-5,10-11H2,1-3H3,(H,17,19)
InChIKeyJNTVNMXPLSLSOU-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.72
Rot. Bonds7

About 4-[[2-(butylamino)acetyl]amino]-N,N-dimethylbenzamide

4-[[2-(butylamino)acetyl]amino]-N,N-dimethylbenzamide (PubChem CID 54815422) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 4-[[2-(butylamino)acetyl]amino]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-[[2-(butylamino)acetyl]amino]-N,N-dimethylbenzamide
PubChem CID54815422
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name4-[[2-(butylamino)acetyl]amino]-N,N-dimethylbenzamide
SMILESCCCCNCC(=O)Nc1ccc(C(=O)N(C)C)cc1
InChIInChI=1S/C15H23N3O2/c1-4-5-10-16-11-14(19)17-13-8-6-12(7-9-13)15(20)18(2)3/h6-9,16H,4-5,10-11H2,1-3H3,(H,17,19)
InChIKeyJNTVNMXPLSLSOU-UHFFFAOYSA-N
XLogP1.72
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[[2-(butylamino)acetyl]amino]-N,N-diethylbenzamide
CID 54815634
N,N-diethyl-4-[[2-(hexadecylamino)acetyl]amino]benzamide
CID 54808879
N,N'-bis[4-(dimethylcarbamoyl)phenyl]propanediamide
CID 17368155
4-[[2-(butylamino)acetyl]amino]-N-ethyl-N-phenylbenzamide
CID 54815388
N,N-dimethyl-4-[[2-(2-phenylethylamino)acetyl]amino]benzamide
CID 54815122
N,N-dimethyl-4-(octanoylamino)benzamide
CID 17231205
2-(butylamino)-N-(4-ethylphenyl)acetamide
CID 108993075
N-(4-methylphenyl)-2-(pentylamino)acetamide
CID 28569144
4-[[2-[4-(butanoylamino)anilino]acetyl]amino]-N,N-dimethylbenzamide
CID 54837212
4-[[2-[4-(dimethylcarbamoyl)anilino]acetyl]amino]-N-propylbenzamide
CID 54840845
4-[[2-(hexadecylamino)acetyl]amino]-N-methylbenzamide
CID 54808915
ethyl 4-[[2-(pentylamino)acetyl]amino]benzoate
CID 109006003

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(butylamino)acetyl]amino]-N,N-dimethylbenzamide?
The IUPAC name of 4-[[2-(butylamino)acetyl]amino]-N,N-dimethylbenzamide (CID 54815422) is 4-[[2-(butylamino)acetyl]amino]-N,N-dimethylbenzamide.
What is the SMILES notation for 4-[[2-(butylamino)acetyl]amino]-N,N-dimethylbenzamide?
The canonical SMILES for 4-[[2-(butylamino)acetyl]amino]-N,N-dimethylbenzamide is CCCCNCC(=O)Nc1ccc(C(=O)N(C)C)cc1.
What is the InChIKey of 4-[[2-(butylamino)acetyl]amino]-N,N-dimethylbenzamide?
The InChIKey is JNTVNMXPLSLSOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-4-5-10-16-11-14(19)17-13-8-6-12(7-9-13)15(20)18(2)3/h6-9,16H,4-5,10-11H2,1-3H3,(H,17,19).
What are the key properties of 4-[[2-(butylamino)acetyl]amino]-N,N-dimethylbenzamide?
4-[[2-(butylamino)acetyl]amino]-N,N-dimethylbenzamide has a molecular weight of 277.37 g/mol, XLogP of 1.72, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(butylamino)acetyl]amino]-N,N-dimethylbenzamide is sourced from PubChem (CID 54815422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).