N-(3,4-dimethylpentan-2-yl)oxolane-2-carboxamide

C12H23NO2 — CID 174326114

IUPACN-(3,4-dimethylpentan-2-yl)oxolane-2-carboxamide
SMILESCC(C)C(C)C(C)NC(=O)C1CCCO1
InChIInChI=1S/C12H23NO2/c1-8(2)9(3)10(4)13-12(14)11-6-5-7-15-11/h8-11H,5-7H2,1-4H3,(H,13,14)
InChIKeyJAOCPNTYWQPLKI-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.96
Rot. Bonds4

About N-(3,4-dimethylpentan-2-yl)oxolane-2-carboxamide

N-(3,4-dimethylpentan-2-yl)oxolane-2-carboxamide (PubChem CID 174326114) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is N-(3,4-dimethylpentan-2-yl)oxolane-2-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethylpentan-2-yl)oxolane-2-carboxamide
PubChem CID174326114
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC NameN-(3,4-dimethylpentan-2-yl)oxolane-2-carboxamide
SMILESCC(C)C(C)C(C)NC(=O)C1CCCO1
InChIInChI=1S/C12H23NO2/c1-8(2)9(3)10(4)13-12(14)11-6-5-7-15-11/h8-11H,5-7H2,1-4H3,(H,13,14)
InChIKeyJAOCPNTYWQPLKI-UHFFFAOYSA-N
XLogP1.96
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-methylbutan-2-yl)oxolane-2-carboxamide
CID 17362643
(2S)-N-(3-hydroxybutan-2-yl)oxolane-2-carboxamide
CID 130735264
(2R)-2-(oxolane-2-carbonylamino)propanoic acid
CID 20848014
(2R)-N-[(2S)-1-hydroxypropan-2-yl]oxolane-2-carboxamide
CID 39236427
3-methyl-2-[[(2S)-oxolane-2-carbonyl]amino]butanoic acid
CID 104855482
(2S)-N-(1-hydroxy-3-methylbutan-2-yl)oxolane-2-carboxamide
CID 104856123
methyl 3-methyl-2-(oxolane-2-carbonylamino)butanoate
CID 19010953
4-methyl-3-[[(2R)-oxolane-2-carbonyl]amino]pentanoic acid
CID 104855940
N-(6-methylheptan-2-yl)oxolane-2-carboxamide
CID 3653544
(2R)-N-(6-methylheptan-3-yl)oxolane-2-carboxamide
CID 163590521
(2R)-4-methyl-2-[[(2S)-oxolane-2-carbonyl]amino]pentanoic acid
CID 42255835
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]oxane-2-carboxamide
CID 79253075

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylpentan-2-yl)oxolane-2-carboxamide?
The IUPAC name of N-(3,4-dimethylpentan-2-yl)oxolane-2-carboxamide (CID 174326114) is N-(3,4-dimethylpentan-2-yl)oxolane-2-carboxamide.
What is the SMILES notation for N-(3,4-dimethylpentan-2-yl)oxolane-2-carboxamide?
The canonical SMILES for N-(3,4-dimethylpentan-2-yl)oxolane-2-carboxamide is CC(C)C(C)C(C)NC(=O)C1CCCO1.
What is the InChIKey of N-(3,4-dimethylpentan-2-yl)oxolane-2-carboxamide?
The InChIKey is JAOCPNTYWQPLKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-8(2)9(3)10(4)13-12(14)11-6-5-7-15-11/h8-11H,5-7H2,1-4H3,(H,13,14).
What are the key properties of N-(3,4-dimethylpentan-2-yl)oxolane-2-carboxamide?
N-(3,4-dimethylpentan-2-yl)oxolane-2-carboxamide has a molecular weight of 213.32 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylpentan-2-yl)oxolane-2-carboxamide is sourced from PubChem (CID 174326114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).