(2R)-N-(6-methylheptan-3-yl)oxolane-2-carboxamide

C13H25NO2 — CID 163590521

IUPAC(2R)-N-(6-methylheptan-3-yl)oxolane-2-carboxamide
SMILESCCC(CCC(C)C)NC(=O)[C@H]1CCCO1
InChIInChI=1S/C13H25NO2/c1-4-11(8-7-10(2)3)14-13(15)12-6-5-9-16-12/h10-12H,4-9H2,1-3H3,(H,14,15)/t11?,12-/m1/s1
InChIKeyGPEFHUXMFAJMEJ-PIJUOVFKSA-N
MW227.35 g/mol
LogP2.50
Rot. Bonds6

About (2R)-N-(6-methylheptan-3-yl)oxolane-2-carboxamide

(2R)-N-(6-methylheptan-3-yl)oxolane-2-carboxamide (PubChem CID 163590521) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is (2R)-N-(6-methylheptan-3-yl)oxolane-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-(6-methylheptan-3-yl)oxolane-2-carboxamide
PubChem CID163590521
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name(2R)-N-(6-methylheptan-3-yl)oxolane-2-carboxamide
SMILESCCC(CCC(C)C)NC(=O)[C@H]1CCCO1
InChIInChI=1S/C13H25NO2/c1-4-11(8-7-10(2)3)14-13(15)12-6-5-9-16-12/h10-12H,4-9H2,1-3H3,(H,14,15)/t11?,12-/m1/s1
InChIKeyGPEFHUXMFAJMEJ-PIJUOVFKSA-N
XLogP2.50
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(tetrahydrofuran-2-yl)ethyl]tetrahydrofuran-2-carboxamide
CID 3442073
N-(2-methylpropyl)oxolane-2-carboxamide
CID 3307864
N-cycloheptyloxolane-2-carboxamide
CID 3155142
N-cyclohexyloxolane-2-carboxamide
CID 4125021
N-(2-Methylcyclohexyl)oxolane-2-carboxamide
CID 42910855
N-[4-(trifluoromethyl)cyclohexyl]oxolane-2-carboxamide
CID 45872778
2-Methyl-N-(3-methylcyclohexyl)oxolane-2-carboxamide
CID 71856944
(2R)-N-(2-cyclopropyl-2-methoxypropyl)oxolane-2-carboxamide
CID 121568351
N-[2-(2-methylpropyl)oxan-3-yl]oxolane-2-carboxamide
CID 121586647
N-[1-[3-fluoro-3-(propan-2-ylcarbamoyl)cyclobutyl]propan-2-yl]oxolane-2-carboxamide
CID 156229671
2-methyl-N-(oxolan-2-ylmethyl)pentanamide
CID 5033702
N-Propyltetrahydrofuran-2-carboxamide
CID 4054933

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(6-methylheptan-3-yl)oxolane-2-carboxamide?
The IUPAC name of (2R)-N-(6-methylheptan-3-yl)oxolane-2-carboxamide (CID 163590521) is (2R)-N-(6-methylheptan-3-yl)oxolane-2-carboxamide.
What is the SMILES notation for (2R)-N-(6-methylheptan-3-yl)oxolane-2-carboxamide?
The canonical SMILES for (2R)-N-(6-methylheptan-3-yl)oxolane-2-carboxamide is CCC(CCC(C)C)NC(=O)[C@H]1CCCO1.
What is the InChIKey of (2R)-N-(6-methylheptan-3-yl)oxolane-2-carboxamide?
The InChIKey is GPEFHUXMFAJMEJ-PIJUOVFKSA-N. The full InChI is InChI=1S/C13H25NO2/c1-4-11(8-7-10(2)3)14-13(15)12-6-5-9-16-12/h10-12H,4-9H2,1-3H3,(H,14,15)/t11?,12-/m1/s1.
What are the key properties of (2R)-N-(6-methylheptan-3-yl)oxolane-2-carboxamide?
(2R)-N-(6-methylheptan-3-yl)oxolane-2-carboxamide has a molecular weight of 227.35 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(6-methylheptan-3-yl)oxolane-2-carboxamide is sourced from PubChem (CID 163590521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).