N-(1-chloro-3-methylpentan-3-yl)oxolane-3-carboxamide

C11H20ClNO2 — CID 106168106

IUPACN-(1-chloro-3-methylpentan-3-yl)oxolane-3-carboxamide
SMILESCCC(C)(CCCl)NC(=O)C1CCOC1
InChIInChI=1S/C11H20ClNO2/c1-3-11(2,5-6-12)13-10(14)9-4-7-15-8-9/h9H,3-8H2,1-2H3,(H,13,14)
InChIKeyPEJIXXVNUWKYDI-UHFFFAOYSA-N
MW233.74 g/mol
LogP1.94
Rot. Bonds5

About N-(1-chloro-3-methylpentan-3-yl)oxolane-3-carboxamide

N-(1-chloro-3-methylpentan-3-yl)oxolane-3-carboxamide (PubChem CID 106168106) has the molecular formula C11H20ClNO2 and a molecular weight of 233.74 g/mol. Its IUPAC name is N-(1-chloro-3-methylpentan-3-yl)oxolane-3-carboxamide.

Molecular Properties

Compound NameN-(1-chloro-3-methylpentan-3-yl)oxolane-3-carboxamide
PubChem CID106168106
Molecular FormulaC11H20ClNO2
Molecular Weight233.74 g/mol
Exact Mass233.12
IUPAC NameN-(1-chloro-3-methylpentan-3-yl)oxolane-3-carboxamide
SMILESCCC(C)(CCCl)NC(=O)C1CCOC1
InChIInChI=1S/C11H20ClNO2/c1-3-11(2,5-6-12)13-10(14)9-4-7-15-8-9/h9H,3-8H2,1-2H3,(H,13,14)
InChIKeyPEJIXXVNUWKYDI-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'}

Analyze N-(1-chloro-3-methylpentan-3-yl)oxolane-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1-chloro-3-methylpentan-3-yl)cyclobutanecarboxamide
CID 106168508
N-(1-bromo-3-methylpentan-3-yl)oxane-4-carboxamide
CID 106169351
N-(4-hydroxy-2-methylbutan-2-yl)oxolane-3-carboxamide
CID 115869901
N-[2,2-dimethyl-3-(oxolane-3-carbonylamino)propyl]oxolane-3-carboxamide
CID 127304188
N-(1-chloro-3-methylpentan-3-yl)-1,1-dioxothiane-2-carboxamide
CID 114153050
2,2-dimethyl-1-(oxolan-3-yl)butan-1-one
CID 114972062
N-(1-chloro-2-methylbutan-2-yl)cyclohexanecarboxamide
CID 114303618
N-(1-chloro-3-methylpentan-3-yl)-2-cyclobutylacetamide
CID 106168566
2-methyl-2-(oxane-3-carbonylamino)pentanoic acid
CID 62759574
N-[2-(aminomethyl)-2-ethylbutyl]oxolane-3-carboxamide
CID 106250823
N-(1-amino-2-methylbutan-2-yl)cyclopropanecarboxamide
CID 64551544
N-(2,3,3-trimethylbutan-2-yl)oxane-3-carboxamide
CID 167749080

Frequently Asked Questions

What is the IUPAC name of N-(1-chloro-3-methylpentan-3-yl)oxolane-3-carboxamide?
The IUPAC name of N-(1-chloro-3-methylpentan-3-yl)oxolane-3-carboxamide (CID 106168106) is N-(1-chloro-3-methylpentan-3-yl)oxolane-3-carboxamide.
What is the SMILES notation for N-(1-chloro-3-methylpentan-3-yl)oxolane-3-carboxamide?
The canonical SMILES for N-(1-chloro-3-methylpentan-3-yl)oxolane-3-carboxamide is CCC(C)(CCCl)NC(=O)C1CCOC1.
What is the InChIKey of N-(1-chloro-3-methylpentan-3-yl)oxolane-3-carboxamide?
The InChIKey is PEJIXXVNUWKYDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20ClNO2/c1-3-11(2,5-6-12)13-10(14)9-4-7-15-8-9/h9H,3-8H2,1-2H3,(H,13,14).
What are the key properties of N-(1-chloro-3-methylpentan-3-yl)oxolane-3-carboxamide?
N-(1-chloro-3-methylpentan-3-yl)oxolane-3-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-3-methylpentan-3-yl)oxolane-3-carboxamide is sourced from PubChem (CID 106168106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).