N-(5-hydroxypentan-2-yl)-2-propyloxane-4-carboxamide

C14H27NO3 — CID 110021505

IUPACN-(5-hydroxypentan-2-yl)-2-propyloxane-4-carboxamide
SMILESCCCC1CC(C(=O)NC(C)CCCO)CCO1
InChIInChI=1S/C14H27NO3/c1-3-5-13-10-12(7-9-18-13)14(17)15-11(2)6-4-8-16/h11-13,16H,3-10H2,1-2H3,(H,15,17)
InChIKeyAZNOGWWDBXWEAV-UHFFFAOYSA-N
MW257.37 g/mol
LogP1.86
Rot. Bonds7

About N-(5-hydroxypentan-2-yl)-2-propyloxane-4-carboxamide

N-(5-hydroxypentan-2-yl)-2-propyloxane-4-carboxamide (PubChem CID 110021505) has the molecular formula C14H27NO3 and a molecular weight of 257.37 g/mol. Its IUPAC name is N-(5-hydroxypentan-2-yl)-2-propyloxane-4-carboxamide.

Molecular Properties

Compound NameN-(5-hydroxypentan-2-yl)-2-propyloxane-4-carboxamide
PubChem CID110021505
Molecular FormulaC14H27NO3
Molecular Weight257.37 g/mol
Exact Mass257.20
IUPAC NameN-(5-hydroxypentan-2-yl)-2-propyloxane-4-carboxamide
SMILESCCCC1CC(C(=O)NC(C)CCCO)CCO1
InChIInChI=1S/C14H27NO3/c1-3-5-13-10-12(7-9-18-13)14(17)15-11(2)6-4-8-16/h11-13,16H,3-10H2,1-2H3,(H,15,17)
InChIKeyAZNOGWWDBXWEAV-UHFFFAOYSA-N
XLogP1.86
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.37
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-hydroxybutan-2-yl)-2-propyloxane-4-carboxamide
CID 110021512
N-[(1S)-2-hydroxy-1-phenylethyl]-2-propyloxane-4-carboxamide
CID 110022005
N-(5-hydroxypentan-2-yl)-2-methylpiperidine-4-carboxamide
CID 106740348
(2S,4S)-2-propyloxane-4-carboxylic acid
CID 928523
(2S,4R)-2-propyloxane-4-carboxylic acid
CID 7076362
N-[1-(3,4-difluorophenyl)-1-hydroxypropan-2-yl]-2-propyloxane-4-carboxamide
CID 110022037
(3R)-N-[(2R)-heptan-2-yl]oxolane-3-carboxamide
CID 95271153
(2R,4R)-N-[(S)-cyano-(2,4-difluorophenyl)methyl]-2-propyloxane-4-carboxamide
CID 98877522
(2S,4S)-N-(4-tert-butylpiperidin-1-yl)-2-propyloxane-4-carboxamide
CID 124842218
(2S,4R)-N-(4-tert-butylpiperidin-1-yl)-2-propyloxane-4-carboxamide
CID 124842219
1-N,3-N,5-N-tri(octan-2-yl)cyclohexane-1,3,5-tricarboxamide
CID 102292990
3-methyl-4-[(2-propyloxan-4-yl)amino]butan-1-ol
CID 66091276

Frequently Asked Questions

What is the IUPAC name of N-(5-hydroxypentan-2-yl)-2-propyloxane-4-carboxamide?
The IUPAC name of N-(5-hydroxypentan-2-yl)-2-propyloxane-4-carboxamide (CID 110021505) is N-(5-hydroxypentan-2-yl)-2-propyloxane-4-carboxamide.
What is the SMILES notation for N-(5-hydroxypentan-2-yl)-2-propyloxane-4-carboxamide?
The canonical SMILES for N-(5-hydroxypentan-2-yl)-2-propyloxane-4-carboxamide is CCCC1CC(C(=O)NC(C)CCCO)CCO1.
What is the InChIKey of N-(5-hydroxypentan-2-yl)-2-propyloxane-4-carboxamide?
The InChIKey is AZNOGWWDBXWEAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO3/c1-3-5-13-10-12(7-9-18-13)14(17)15-11(2)6-4-8-16/h11-13,16H,3-10H2,1-2H3,(H,15,17).
What are the key properties of N-(5-hydroxypentan-2-yl)-2-propyloxane-4-carboxamide?
N-(5-hydroxypentan-2-yl)-2-propyloxane-4-carboxamide has a molecular weight of 257.37 g/mol, XLogP of 1.86, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-hydroxypentan-2-yl)-2-propyloxane-4-carboxamide is sourced from PubChem (CID 110021505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).