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

C17H27N3O2 — CID 54815634

IUPAC4-[[2-(butylamino)acetyl]amino]-N,N-diethylbenzamide
SMILESCCCCNCC(=O)Nc1ccc(C(=O)N(CC)CC)cc1
InChIInChI=1S/C17H27N3O2/c1-4-7-12-18-13-16(21)19-15-10-8-14(9-11-15)17(22)20(5-2)6-3/h8-11,18H,4-7,12-13H2,1-3H3,(H,19,21)
InChIKeyAUMHKZANDLUNLF-UHFFFAOYSA-N
MW305.42 g/mol
LogP2.50
Rot. Bonds9

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

4-[[2-(butylamino)acetyl]amino]-N,N-diethylbenzamide (PubChem CID 54815634) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is 4-[[2-(butylamino)acetyl]amino]-N,N-diethylbenzamide.

Molecular Properties

Compound Name4-[[2-(butylamino)acetyl]amino]-N,N-diethylbenzamide
PubChem CID54815634
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC Name4-[[2-(butylamino)acetyl]amino]-N,N-diethylbenzamide
SMILESCCCCNCC(=O)Nc1ccc(C(=O)N(CC)CC)cc1
InChIInChI=1S/C17H27N3O2/c1-4-7-12-18-13-16(21)19-15-10-8-14(9-11-15)17(22)20(5-2)6-3/h8-11,18H,4-7,12-13H2,1-3H3,(H,19,21)
InChIKeyAUMHKZANDLUNLF-UHFFFAOYSA-N
XLogP2.50
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 52.50
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

N,N-diethyl-4-[[2-(hexadecylamino)acetyl]amino]benzamide
CID 54808879
4-[[2-(butylamino)acetyl]amino]-N,N-dimethylbenzamide
CID 54815422
N,N-diethyl-4-[[2-(ethylamino)acetyl]amino]benzamide
CID 54820671
4-[[2-(butylamino)acetyl]amino]-N-ethyl-N-phenylbenzamide
CID 54815388
N,N-diethyl-4-[[2-(prop-2-ynylamino)acetyl]amino]benzamide
CID 78908465
N,N'-bis[4-(diethylcarbamoyl)phenyl]decanediamide
CID 17196837
2-(butylamino)-N-(4-ethylphenyl)acetamide
CID 108993075
4-[[2-(dimethylamino)acetyl]amino]-N,N-diethylbenzamide
CID 54843896
N-(4-methylphenyl)-2-(pentylamino)acetamide
CID 28569144
4-[[2-(hexadecylamino)acetyl]amino]-N-methylbenzamide
CID 54808915
4-[[2-(4-bromoanilino)-2-oxoethyl]amino]-N,N-diethylbenzamide
CID 54834198
N,N-diethyl-4-[[2-(4-iodoanilino)acetyl]amino]benzamide
CID 54812461

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(butylamino)acetyl]amino]-N,N-diethylbenzamide?
The IUPAC name of 4-[[2-(butylamino)acetyl]amino]-N,N-diethylbenzamide (CID 54815634) is 4-[[2-(butylamino)acetyl]amino]-N,N-diethylbenzamide.
What is the SMILES notation for 4-[[2-(butylamino)acetyl]amino]-N,N-diethylbenzamide?
The canonical SMILES for 4-[[2-(butylamino)acetyl]amino]-N,N-diethylbenzamide is CCCCNCC(=O)Nc1ccc(C(=O)N(CC)CC)cc1.
What is the InChIKey of 4-[[2-(butylamino)acetyl]amino]-N,N-diethylbenzamide?
The InChIKey is AUMHKZANDLUNLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-4-7-12-18-13-16(21)19-15-10-8-14(9-11-15)17(22)20(5-2)6-3/h8-11,18H,4-7,12-13H2,1-3H3,(H,19,21).
What are the key properties of 4-[[2-(butylamino)acetyl]amino]-N,N-diethylbenzamide?
4-[[2-(butylamino)acetyl]amino]-N,N-diethylbenzamide has a molecular weight of 305.42 g/mol, XLogP of 2.50, 9 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-diethylbenzamide is sourced from PubChem (CID 54815634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).