N-(1-chloro-4-methylpentan-2-yl)oxolane-2-carboxamide

C11H20ClNO2 — CID 114300828

IUPACN-(1-chloro-4-methylpentan-2-yl)oxolane-2-carboxamide
SMILESCC(C)CC(CCl)NC(=O)C1CCCO1
InChIInChI=1S/C11H20ClNO2/c1-8(2)6-9(7-12)13-11(14)10-4-3-5-15-10/h8-10H,3-7H2,1-2H3,(H,13,14)
InChIKeyCMPFQHYZAWJZIA-UHFFFAOYSA-N
MW233.74 g/mol
LogP1.94
Rot. Bonds5

About N-(1-chloro-4-methylpentan-2-yl)oxolane-2-carboxamide

N-(1-chloro-4-methylpentan-2-yl)oxolane-2-carboxamide (PubChem CID 114300828) has the molecular formula C11H20ClNO2 and a molecular weight of 233.74 g/mol. Its IUPAC name is N-(1-chloro-4-methylpentan-2-yl)oxolane-2-carboxamide.

Molecular Properties

Compound NameN-(1-chloro-4-methylpentan-2-yl)oxolane-2-carboxamide
PubChem CID114300828
Molecular FormulaC11H20ClNO2
Molecular Weight233.74 g/mol
Exact Mass233.12
IUPAC NameN-(1-chloro-4-methylpentan-2-yl)oxolane-2-carboxamide
SMILESCC(C)CC(CCl)NC(=O)C1CCCO1
InChIInChI=1S/C11H20ClNO2/c1-8(2)6-9(7-12)13-11(14)10-4-3-5-15-10/h8-10H,3-7H2,1-2H3,(H,13,14)
InChIKeyCMPFQHYZAWJZIA-UHFFFAOYSA-N
XLogP1.94
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.74
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

(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-(1-chloro-4-methylpentan-2-yl)-2-(oxolan-2-yl)acetamide
CID 114300771
methyl (2R)-4-methyl-2-[[(2R)-oxolane-2-carbonyl]amino]pentanoate
CID 51681555
methyl 4-methyl-2-[[(2R)-oxolane-2-carbonyl]amino]pentanoate
CID 103849887
methyl (2S)-4-methyl-2-[[(2R)-oxolane-2-carbonyl]amino]pentanoate
CID 51681554
N-(1-chloro-4-methylpentan-2-yl)cyclooctanecarboxamide
CID 113272544
N-(3-methylbutan-2-yl)oxolane-2-carboxamide
CID 17362643
(2R)-N-[(2S)-1-hydroxypropan-2-yl]oxolane-2-carboxamide
CID 39236427
N-(6-methylheptan-2-yl)oxolane-2-carboxamide
CID 3653544
(2S)-N-(3-hydroxybutan-2-yl)oxolane-2-carboxamide
CID 130735264
(2S)-N-(1-hydroxy-3-methylbutan-2-yl)oxolane-2-carboxamide
CID 104856123

Frequently Asked Questions

What is the IUPAC name of N-(1-chloro-4-methylpentan-2-yl)oxolane-2-carboxamide?
The IUPAC name of N-(1-chloro-4-methylpentan-2-yl)oxolane-2-carboxamide (CID 114300828) is N-(1-chloro-4-methylpentan-2-yl)oxolane-2-carboxamide.
What is the SMILES notation for N-(1-chloro-4-methylpentan-2-yl)oxolane-2-carboxamide?
The canonical SMILES for N-(1-chloro-4-methylpentan-2-yl)oxolane-2-carboxamide is CC(C)CC(CCl)NC(=O)C1CCCO1.
What is the InChIKey of N-(1-chloro-4-methylpentan-2-yl)oxolane-2-carboxamide?
The InChIKey is CMPFQHYZAWJZIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20ClNO2/c1-8(2)6-9(7-12)13-11(14)10-4-3-5-15-10/h8-10H,3-7H2,1-2H3,(H,13,14).
What are the key properties of N-(1-chloro-4-methylpentan-2-yl)oxolane-2-carboxamide?
N-(1-chloro-4-methylpentan-2-yl)oxolane-2-carboxamide has a molecular weight of 233.74 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-chloro-4-methylpentan-2-yl)oxolane-2-carboxamide is sourced from PubChem (CID 114300828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).