(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-(6-methylheptan-2-yl)oxolane-2-carboxamide
CID 3653544
N-(1-chloro-4-methylpentan-2-yl)oxolane-2-carboxamide
CID 114300828
(2R)-N-[(1S)-1-cyanopropyl]oxolane-2-carboxamide
CID 131134603
N-(3-methylbutan-2-yl)oxolane-2-carboxamide
CID 17362643
(2R)-N-[(2S)-1-hydroxypropan-2-yl]oxolane-2-carboxamide
CID 39236427
(2S)-N-(3-hydroxybutan-2-yl)oxolane-2-carboxamide
CID 130735264
(2S)-N-(1-hydroxy-3-methylbutan-2-yl)oxolane-2-carboxamide
CID 104856123
(2R)-4-methyl-2-[[(2S)-oxolane-2-carbonyl]amino]pentanoic acid
CID 42255835
(2R)-2-(oxolane-2-carbonylamino)propanoic acid
CID 20848014
N-(3,4-dimethylpentan-2-yl)oxolane-2-carboxamide
CID 174326114
4-methyl-3-[[(2R)-oxolane-2-carbonyl]amino]pentanoic acid
CID 104855940
1-(3-methylbutyl)-3-[[(2R)-oxolane-2-carbonyl]amino]thiourea
CID 9112498

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).