4-[[2-(butylamino)acetyl]amino]-N-ethyl-N-phenylbenzamide

C21H27N3O2 — CID 54815388

IUPAC4-[[2-(butylamino)acetyl]amino]-N-ethyl-N-phenylbenzamide
SMILESCCCCNCC(=O)Nc1ccc(C(=O)N(CC)c2ccccc2)cc1
InChIInChI=1S/C21H27N3O2/c1-3-5-15-22-16-20(25)23-18-13-11-17(12-14-18)21(26)24(4-2)19-9-7-6-8-10-19/h6-14,22H,3-5,15-16H2,1-2H3,(H,23,25)
InChIKeyUONMLJOAQRQGEN-UHFFFAOYSA-N
MW353.47 g/mol
LogP3.68
Rot. Bonds9

About 4-[[2-(butylamino)acetyl]amino]-N-ethyl-N-phenylbenzamide

4-[[2-(butylamino)acetyl]amino]-N-ethyl-N-phenylbenzamide (PubChem CID 54815388) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is 4-[[2-(butylamino)acetyl]amino]-N-ethyl-N-phenylbenzamide.

Molecular Properties

Compound Name4-[[2-(butylamino)acetyl]amino]-N-ethyl-N-phenylbenzamide
PubChem CID54815388
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC Name4-[[2-(butylamino)acetyl]amino]-N-ethyl-N-phenylbenzamide
SMILESCCCCNCC(=O)Nc1ccc(C(=O)N(CC)c2ccccc2)cc1
InChIInChI=1S/C21H27N3O2/c1-3-5-15-22-16-20(25)23-18-13-11-17(12-14-18)21(26)24(4-2)19-9-7-6-8-10-19/h6-14,22H,3-5,15-16H2,1-2H3,(H,23,25)
InChIKeyUONMLJOAQRQGEN-UHFFFAOYSA-N
XLogP3.68
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 53.68
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-ethyl-4-[[2-(ethylamino)acetyl]amino]-N-phenylbenzamide
CID 54820940
4-[[2-(butylamino)acetyl]amino]-N,N-diethylbenzamide
CID 54815634
4-[[2-(butylamino)acetyl]amino]-N,N-dimethylbenzamide
CID 54815422
4-N-ethyl-1-N,4-N-diphenylbenzene-1,4-dicarboxamide
CID 109049216
4-[(2-cyanoacetyl)amino]-N-ethyl-N-phenylbenzamide
CID 168520814
N,N-diethyl-4-[[2-(hexadecylamino)acetyl]amino]benzamide
CID 54808879
N-ethyl-4-[[2-(4-methoxyanilino)acetyl]amino]-N-phenylbenzamide
CID 54812554
propyl 4-[[2-[4-[ethyl(phenyl)carbamoyl]anilino]-2-oxoethyl]amino]benzoate
CID 54812803
N-tert-butyl-4-[[2-[4-[ethyl(phenyl)carbamoyl]anilino]-2-oxoethyl]amino]benzamide
CID 54834536
N-ethyl-N-phenyl-4-[[2-[3-(propanoylamino)anilino]acetyl]amino]benzamide
CID 54833295
4-benzamido-N-butyl-N-phenylbenzamide
CID 17153379
N-[4-[ethyl(phenyl)carbamoyl]phenyl]-2-methylbenzamide
CID 1243669

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(butylamino)acetyl]amino]-N-ethyl-N-phenylbenzamide?
The IUPAC name of 4-[[2-(butylamino)acetyl]amino]-N-ethyl-N-phenylbenzamide (CID 54815388) is 4-[[2-(butylamino)acetyl]amino]-N-ethyl-N-phenylbenzamide.
What is the SMILES notation for 4-[[2-(butylamino)acetyl]amino]-N-ethyl-N-phenylbenzamide?
The canonical SMILES for 4-[[2-(butylamino)acetyl]amino]-N-ethyl-N-phenylbenzamide is CCCCNCC(=O)Nc1ccc(C(=O)N(CC)c2ccccc2)cc1.
What is the InChIKey of 4-[[2-(butylamino)acetyl]amino]-N-ethyl-N-phenylbenzamide?
The InChIKey is UONMLJOAQRQGEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-3-5-15-22-16-20(25)23-18-13-11-17(12-14-18)21(26)24(4-2)19-9-7-6-8-10-19/h6-14,22H,3-5,15-16H2,1-2H3,(H,23,25).
What are the key properties of 4-[[2-(butylamino)acetyl]amino]-N-ethyl-N-phenylbenzamide?
4-[[2-(butylamino)acetyl]amino]-N-ethyl-N-phenylbenzamide has a molecular weight of 353.47 g/mol, XLogP of 3.68, 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-ethyl-N-phenylbenzamide is sourced from PubChem (CID 54815388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).