N-benzyl-4-(butanoylamino)butanamide

C15H22N2O2 — CID 3067793

IUPACN-benzyl-4-(butanoylamino)butanamide
SMILESCCCC(=O)NCCCC(=O)NCc1ccccc1
InChIInChI=1S/C15H22N2O2/c1-2-7-14(18)16-11-6-10-15(19)17-12-13-8-4-3-5-9-13/h3-5,8-9H,2,6-7,10-12H2,1H3,(H,16,18)(H,17,19)
InChIKeyUHDIGISIRPCAGX-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.00
Rot. Bonds8

About N-benzyl-4-(butanoylamino)butanamide

N-benzyl-4-(butanoylamino)butanamide (PubChem CID 3067793) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is N-benzyl-4-(butanoylamino)butanamide.

Molecular Properties

Compound NameN-benzyl-4-(butanoylamino)butanamide
PubChem CID3067793
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC NameN-benzyl-4-(butanoylamino)butanamide
SMILESCCCC(=O)NCCCC(=O)NCc1ccccc1
InChIInChI=1S/C15H22N2O2/c1-2-7-14(18)16-11-6-10-15(19)17-12-13-8-4-3-5-9-13/h3-5,8-9H,2,6-7,10-12H2,1H3,(H,16,18)(H,17,19)
InChIKeyUHDIGISIRPCAGX-UHFFFAOYSA-N
XLogP2.00
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-(butanoylamino)butanamide?
The IUPAC name of N-benzyl-4-(butanoylamino)butanamide (CID 3067793) is N-benzyl-4-(butanoylamino)butanamide.
What is the SMILES notation for N-benzyl-4-(butanoylamino)butanamide?
The canonical SMILES for N-benzyl-4-(butanoylamino)butanamide is CCCC(=O)NCCCC(=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-4-(butanoylamino)butanamide?
The InChIKey is UHDIGISIRPCAGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-2-7-14(18)16-11-6-10-15(19)17-12-13-8-4-3-5-9-13/h3-5,8-9H,2,6-7,10-12H2,1H3,(H,16,18)(H,17,19).
What are the key properties of N-benzyl-4-(butanoylamino)butanamide?
N-benzyl-4-(butanoylamino)butanamide has a molecular weight of 262.35 g/mol, XLogP of 2.00, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-(butanoylamino)butanamide is sourced from PubChem (CID 3067793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).