N-[3-(pentanoylamino)propyl]-N-phenylbenzamide

C21H26N2O2 — CID 42705905

IUPACN-[3-(pentanoylamino)propyl]-N-phenylbenzamide
SMILESCCCCC(=O)NCCCN(C(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C21H26N2O2/c1-2-3-15-20(24)22-16-10-17-23(19-13-8-5-9-14-19)21(25)18-11-6-4-7-12-18/h4-9,11-14H,2-3,10,15-17H2,1H3,(H,22,24)
InChIKeyVJUZKNFKSUCWJO-UHFFFAOYSA-N
MW338.45 g/mol
LogP4.03
Rot. Bonds9

About N-[3-(pentanoylamino)propyl]-N-phenylbenzamide

N-[3-(pentanoylamino)propyl]-N-phenylbenzamide (PubChem CID 42705905) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is N-[3-(pentanoylamino)propyl]-N-phenylbenzamide.

Molecular Properties

Compound NameN-[3-(pentanoylamino)propyl]-N-phenylbenzamide
PubChem CID42705905
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC NameN-[3-(pentanoylamino)propyl]-N-phenylbenzamide
SMILESCCCCC(=O)NCCCN(C(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C21H26N2O2/c1-2-3-15-20(24)22-16-10-17-23(19-13-8-5-9-14-19)21(25)18-11-6-4-7-12-18/h4-9,11-14H,2-3,10,15-17H2,1H3,(H,22,24)
InChIKeyVJUZKNFKSUCWJO-UHFFFAOYSA-N
XLogP4.03
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(octanoylamino)ethyl]-N-phenylbenzamide
CID 42704591
N-[3-(N-methylanilino)propyl]pentanamide
CID 78799629
4-benzamido-N-butyl-N-phenylbenzamide
CID 17153379
4-bromo-N-butyl-N-phenylbenzamide
CID 3934058
N-[4-(butylamino)-4-oxobutyl]benzamide
CID 78795173
N-[3-(3-methylbutanoylamino)propyl]-N-phenyloctanamide
CID 42702502
3-bromo-N-butyl-N-phenylbenzamide
CID 17256559
9-(N-benzoylanilino)nonanoic acid
CID 10066664
N-butyl-N-phenyl-3-(propanoylamino)benzamide
CID 17309767
3-[N-(butylcarbamoyl)anilino]propanoic acid
CID 60828926
N-butyl-3-hydroxy-4-methyl-N-phenylbenzamide
CID 64585980
N-[4-oxo-4-(propylamino)butyl]benzamide
CID 78795088

Frequently Asked Questions

What is the IUPAC name of N-[3-(pentanoylamino)propyl]-N-phenylbenzamide?
The IUPAC name of N-[3-(pentanoylamino)propyl]-N-phenylbenzamide (CID 42705905) is N-[3-(pentanoylamino)propyl]-N-phenylbenzamide.
What is the SMILES notation for N-[3-(pentanoylamino)propyl]-N-phenylbenzamide?
The canonical SMILES for N-[3-(pentanoylamino)propyl]-N-phenylbenzamide is CCCCC(=O)NCCCN(C(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of N-[3-(pentanoylamino)propyl]-N-phenylbenzamide?
The InChIKey is VJUZKNFKSUCWJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-2-3-15-20(24)22-16-10-17-23(19-13-8-5-9-14-19)21(25)18-11-6-4-7-12-18/h4-9,11-14H,2-3,10,15-17H2,1H3,(H,22,24).
What are the key properties of N-[3-(pentanoylamino)propyl]-N-phenylbenzamide?
N-[3-(pentanoylamino)propyl]-N-phenylbenzamide has a molecular weight of 338.45 g/mol, XLogP of 4.03, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(pentanoylamino)propyl]-N-phenylbenzamide is sourced from PubChem (CID 42705905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).