N-(oxolan-3-ylmethyl)-N-propylpentanamide

C13H25NO2 — CID 91915492

IUPACN-(oxolan-3-ylmethyl)-N-propylpentanamide
SMILESCCCCC(=O)N(CCC)CC1CCOC1
InChIInChI=1S/C13H25NO2/c1-3-5-6-13(15)14(8-4-2)10-12-7-9-16-11-12/h12H,3-11H2,1-2H3
InChIKeyIWXCSZJWEJJTCF-UHFFFAOYSA-N
MW227.35 g/mol
LogP2.45
Rot. Bonds7

About N-(oxolan-3-ylmethyl)-N-propylpentanamide

N-(oxolan-3-ylmethyl)-N-propylpentanamide (PubChem CID 91915492) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is N-(oxolan-3-ylmethyl)-N-propylpentanamide.

Molecular Properties

Compound NameN-(oxolan-3-ylmethyl)-N-propylpentanamide
PubChem CID91915492
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC NameN-(oxolan-3-ylmethyl)-N-propylpentanamide
SMILESCCCCC(=O)N(CCC)CC1CCOC1
InChIInChI=1S/C13H25NO2/c1-3-5-6-13(15)14(8-4-2)10-12-7-9-16-11-12/h12H,3-11H2,1-2H3
InChIKeyIWXCSZJWEJJTCF-UHFFFAOYSA-N
XLogP2.45
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-N-(oxolan-3-ylmethyl)cyclopentanecarboxamide
CID 110875876
N-Methyl-N-[(oxan-4-YL)methyl]pentanamide
CID 91915004
N-methyl-N-(tetrahydro-3-furanylmethyl)pentanamide
CID 91915516
N-ethyl-2,2-dimethyl-N-(oxolan-3-ylmethyl)propanamide
CID 51082625
N-methyl-N-[[(3R)-oxolan-3-yl]methyl]cyclohexanecarboxamide
CID 164633173
CID 135081778
CID 135081778
3-(Propoxymethyl)-1-(4,4,4-trifluorobutanoyl)pyrrolidine
CID 131941061
N-methyl-N-(oxolan-3-ylmethyl)cyclohexanecarboxamide
CID 110875857
(4-Methylpiperidin-1-yl)-(oxolan-3-yl)methanone
CID 58395368
1-[(3S)-3-(methoxymethyl)pyrrolidin-1-yl]-2,2-dimethylpropan-1-one
CID 59440881
N,N-diethyloxolane-3-carboxamide
CID 61832947
Oxolan-3-yl(piperidin-1-yl)methanone
CID 61898634

Frequently Asked Questions

What is the IUPAC name of N-(oxolan-3-ylmethyl)-N-propylpentanamide?
The IUPAC name of N-(oxolan-3-ylmethyl)-N-propylpentanamide (CID 91915492) is N-(oxolan-3-ylmethyl)-N-propylpentanamide.
What is the SMILES notation for N-(oxolan-3-ylmethyl)-N-propylpentanamide?
The canonical SMILES for N-(oxolan-3-ylmethyl)-N-propylpentanamide is CCCCC(=O)N(CCC)CC1CCOC1.
What is the InChIKey of N-(oxolan-3-ylmethyl)-N-propylpentanamide?
The InChIKey is IWXCSZJWEJJTCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-3-5-6-13(15)14(8-4-2)10-12-7-9-16-11-12/h12H,3-11H2,1-2H3.
What are the key properties of N-(oxolan-3-ylmethyl)-N-propylpentanamide?
N-(oxolan-3-ylmethyl)-N-propylpentanamide has a molecular weight of 227.35 g/mol, XLogP of 2.45, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-3-ylmethyl)-N-propylpentanamide is sourced from PubChem (CID 91915492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).