4-(butanoylamino)-N-(2-phenylethyl)butanamide

C16H24N2O2 — CID 90025027

IUPAC4-(butanoylamino)-N-(2-phenylethyl)butanamide
SMILESCCCC(=O)NCCCC(=O)NCCc1ccccc1
InChIInChI=1S/C16H24N2O2/c1-2-7-15(19)17-12-6-10-16(20)18-13-11-14-8-4-3-5-9-14/h3-5,8-9H,2,6-7,10-13H2,1H3,(H,17,19)(H,18,20)
InChIKeyVBWMZHKPKLCVQN-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.04
Rot. Bonds9

About 4-(butanoylamino)-N-(2-phenylethyl)butanamide

4-(butanoylamino)-N-(2-phenylethyl)butanamide (PubChem CID 90025027) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 4-(butanoylamino)-N-(2-phenylethyl)butanamide.

Molecular Properties

Compound Name4-(butanoylamino)-N-(2-phenylethyl)butanamide
PubChem CID90025027
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name4-(butanoylamino)-N-(2-phenylethyl)butanamide
SMILESCCCC(=O)NCCCC(=O)NCCc1ccccc1
InChIInChI=1S/C16H24N2O2/c1-2-7-15(19)17-12-6-10-16(20)18-13-11-14-8-4-3-5-9-14/h3-5,8-9H,2,6-7,10-13H2,1H3,(H,17,19)(H,18,20)
InChIKeyVBWMZHKPKLCVQN-UHFFFAOYSA-N
XLogP2.04
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.04
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 4-(butanoylamino)-N-(2-phenylethyl)butanamide?
The IUPAC name of 4-(butanoylamino)-N-(2-phenylethyl)butanamide (CID 90025027) is 4-(butanoylamino)-N-(2-phenylethyl)butanamide.
What is the SMILES notation for 4-(butanoylamino)-N-(2-phenylethyl)butanamide?
The canonical SMILES for 4-(butanoylamino)-N-(2-phenylethyl)butanamide is CCCC(=O)NCCCC(=O)NCCc1ccccc1.
What is the InChIKey of 4-(butanoylamino)-N-(2-phenylethyl)butanamide?
The InChIKey is VBWMZHKPKLCVQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-2-7-15(19)17-12-6-10-16(20)18-13-11-14-8-4-3-5-9-14/h3-5,8-9H,2,6-7,10-13H2,1H3,(H,17,19)(H,18,20).
What are the key properties of 4-(butanoylamino)-N-(2-phenylethyl)butanamide?
4-(butanoylamino)-N-(2-phenylethyl)butanamide has a molecular weight of 276.38 g/mol, XLogP of 2.04, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(butanoylamino)-N-(2-phenylethyl)butanamide is sourced from PubChem (CID 90025027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).