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

C16H24N2O2 — CID 119308398

IUPAC2-amino-N-[oxolan-2-yl(phenyl)methyl]pentanamide
SMILESCCCC(N)C(=O)NC(c1ccccc1)C1CCCO1
InChIInChI=1S/C16H24N2O2/c1-2-7-13(17)16(19)18-15(14-10-6-11-20-14)12-8-4-3-5-9-12/h3-5,8-9,13-15H,2,6-7,10-11,17H2,1H3,(H,18,19)
InChIKeyMSMGIOICVHRDJL-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.15
Rot. Bonds6

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

2-amino-N-[oxolan-2-yl(phenyl)methyl]pentanamide (PubChem CID 119308398) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 2-amino-N-[oxolan-2-yl(phenyl)methyl]pentanamide.

Molecular Properties

Compound Name2-amino-N-[oxolan-2-yl(phenyl)methyl]pentanamide
PubChem CID119308398
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name2-amino-N-[oxolan-2-yl(phenyl)methyl]pentanamide
SMILESCCCC(N)C(=O)NC(c1ccccc1)C1CCCO1
InChIInChI=1S/C16H24N2O2/c1-2-7-13(17)16(19)18-15(14-10-6-11-20-14)12-8-4-3-5-9-12/h3-5,8-9,13-15H,2,6-7,10-11,17H2,1H3,(H,18,19)
InChIKeyMSMGIOICVHRDJL-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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Related Compounds

4-amino-N-[oxolan-2-yl(phenyl)methyl]pentanamide
CID 120561583
2-(methylamino)-N-[oxolan-2-yl(phenyl)methyl]acetamide
CID 119757394
2-amino-N-[1-(oxolan-2-yl)ethyl]-4-phenylbutanamide
CID 114925311
2-amino-N-[cyclopropyl(phenyl)methyl]hexanamide
CID 54928140
2-(1,3-dioxan-2-yl)-N-[(S)-[(2S)-oxolan-2-yl]-phenylmethyl]acetamide
CID 124625518
4-amino-N-[(R)-[(2S)-oxolan-2-yl]-phenylmethyl]butanamide
CID 129397487
(2S)-2-[[(2S)-2-aminopentanoyl]amino]-2-phenylacetic acid
CID 103871030
(2S)-2-[[(2R)-2-aminopentanoyl]amino]-2-phenylacetic acid
CID 113342407
(2R)-2-amino-N-[1-(oxolan-2-yl)ethyl]-3-phenylpropanamide
CID 78985428
2-amino-N-[1-(oxolan-2-yl)ethyl]-2-phenylacetamide;hydrochloride
CID 119292175
methyl 2-(2-aminopentanoylamino)-2-phenylacetate
CID 62111189
1-(3-ethyl-1-methylpyrazol-4-yl)-3-[(S)-[(2S)-oxolan-2-yl]-phenylmethyl]urea
CID 125136365

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[oxolan-2-yl(phenyl)methyl]pentanamide?
The IUPAC name of 2-amino-N-[oxolan-2-yl(phenyl)methyl]pentanamide (CID 119308398) is 2-amino-N-[oxolan-2-yl(phenyl)methyl]pentanamide.
What is the SMILES notation for 2-amino-N-[oxolan-2-yl(phenyl)methyl]pentanamide?
The canonical SMILES for 2-amino-N-[oxolan-2-yl(phenyl)methyl]pentanamide is CCCC(N)C(=O)NC(c1ccccc1)C1CCCO1.
What is the InChIKey of 2-amino-N-[oxolan-2-yl(phenyl)methyl]pentanamide?
The InChIKey is MSMGIOICVHRDJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-2-7-13(17)16(19)18-15(14-10-6-11-20-14)12-8-4-3-5-9-12/h3-5,8-9,13-15H,2,6-7,10-11,17H2,1H3,(H,18,19).
What are the key properties of 2-amino-N-[oxolan-2-yl(phenyl)methyl]pentanamide?
2-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 2-amino-N-[oxolan-2-yl(phenyl)methyl]pentanamide is sourced from PubChem (CID 119308398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).