4-amino-N-[oxolan-2-yl(phenyl)methyl]pentanamide

C16H24N2O2 — CID 120561583

IUPAC4-amino-N-[oxolan-2-yl(phenyl)methyl]pentanamide
SMILESCC(N)CCC(=O)NC(c1ccccc1)C1CCCO1
InChIInChI=1S/C16H24N2O2/c1-12(17)9-10-15(19)18-16(14-8-5-11-20-14)13-6-3-2-4-7-13/h2-4,6-7,12,14,16H,5,8-11,17H2,1H3,(H,18,19)
InChIKeyQEWZDHBAIQDQGR-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.15
Rot. Bonds6

About 4-amino-N-[oxolan-2-yl(phenyl)methyl]pentanamide

4-amino-N-[oxolan-2-yl(phenyl)methyl]pentanamide (PubChem CID 120561583) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 4-amino-N-[oxolan-2-yl(phenyl)methyl]pentanamide.

Molecular Properties

Compound Name4-amino-N-[oxolan-2-yl(phenyl)methyl]pentanamide
PubChem CID120561583
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name4-amino-N-[oxolan-2-yl(phenyl)methyl]pentanamide
SMILESCC(N)CCC(=O)NC(c1ccccc1)C1CCCO1
InChIInChI=1S/C16H24N2O2/c1-12(17)9-10-15(19)18-16(14-8-5-11-20-14)13-6-3-2-4-7-13/h2-4,6-7,12,14,16H,5,8-11,17H2,1H3,(H,18,19)
InChIKeyQEWZDHBAIQDQGR-UHFFFAOYSA-N
XLogP2.15
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[oxolan-2-yl(phenyl)methyl]pentanamide?
The IUPAC name of 4-amino-N-[oxolan-2-yl(phenyl)methyl]pentanamide (CID 120561583) is 4-amino-N-[oxolan-2-yl(phenyl)methyl]pentanamide.
What is the SMILES notation for 4-amino-N-[oxolan-2-yl(phenyl)methyl]pentanamide?
The canonical SMILES for 4-amino-N-[oxolan-2-yl(phenyl)methyl]pentanamide is CC(N)CCC(=O)NC(c1ccccc1)C1CCCO1.
What is the InChIKey of 4-amino-N-[oxolan-2-yl(phenyl)methyl]pentanamide?
The InChIKey is QEWZDHBAIQDQGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-12(17)9-10-15(19)18-16(14-8-5-11-20-14)13-6-3-2-4-7-13/h2-4,6-7,12,14,16H,5,8-11,17H2,1H3,(H,18,19).
What are the key properties of 4-amino-N-[oxolan-2-yl(phenyl)methyl]pentanamide?
4-amino-N-[oxolan-2-yl(phenyl)methyl]pentanamide has a molecular weight of 276.38 g/mol, XLogP of 2.15, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[oxolan-2-yl(phenyl)methyl]pentanamide is sourced from PubChem (CID 120561583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).