N-(4-chloro-2,2-dimethylbutyl)-2,4,5-trimethyloxolane-3-carboxamide

C14H26ClNO2 — CID 114149321

IUPACN-(4-chloro-2,2-dimethylbutyl)-2,4,5-trimethyloxolane-3-carboxamide
SMILESCC1OC(C)C(C(=O)NCC(C)(C)CCCl)C1C
InChIInChI=1S/C14H26ClNO2/c1-9-10(2)18-11(3)12(9)13(17)16-8-14(4,5)6-7-15/h9-12H,6-8H2,1-5H3,(H,16,17)
InChIKeyASEJRQDVARFCQB-UHFFFAOYSA-N
MW275.82 g/mol
LogP2.82
Rot. Bonds5

About N-(4-chloro-2,2-dimethylbutyl)-2,4,5-trimethyloxolane-3-carboxamide

N-(4-chloro-2,2-dimethylbutyl)-2,4,5-trimethyloxolane-3-carboxamide (PubChem CID 114149321) has the molecular formula C14H26ClNO2 and a molecular weight of 275.82 g/mol. Its IUPAC name is N-(4-chloro-2,2-dimethylbutyl)-2,4,5-trimethyloxolane-3-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-2,2-dimethylbutyl)-2,4,5-trimethyloxolane-3-carboxamide
PubChem CID114149321
Molecular FormulaC14H26ClNO2
Molecular Weight275.82 g/mol
Exact Mass275.17
IUPAC NameN-(4-chloro-2,2-dimethylbutyl)-2,4,5-trimethyloxolane-3-carboxamide
SMILESCC1OC(C)C(C(=O)NCC(C)(C)CCCl)C1C
InChIInChI=1S/C14H26ClNO2/c1-9-10(2)18-11(3)12(9)13(17)16-8-14(4,5)6-7-15/h9-12H,6-8H2,1-5H3,(H,16,17)
InChIKeyASEJRQDVARFCQB-UHFFFAOYSA-N
XLogP2.82
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.82
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(4-chloro-2,2-dimethylbutyl)-2,4,5-trimethyloxolane-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-(5-aminopentyl)-2,4,5-trimethyloxolane-3-carboxamide
CID 65152470
N-(4-aminobutyl)-2,4,5-trimethyloxolane-3-carboxamide
CID 65152566
N-(3-aminopropyl)-2,4,5-trimethyloxolane-3-carboxamide
CID 65152615
N-(3-amino-2-methylpropyl)-2,4,5-trimethyloxolane-3-carboxamide
CID 65152618
N-ethyl-2,4,5-trimethyloxolane-3-carboxamide
CID 65155196
2,4,5-trimethyl-N-propyloxolane-3-carboxamide
CID 65155197
N-(3-chloropropyl)-2,4,5-trimethyloxolane-3-carboxamide
CID 65155235
2,4,5-trimethyl-N-propan-2-yloxolane-3-carboxamide
CID 65155244
N-(3,3-dimethyl-2-oxobutyl)-2,4,5-trimethyloxolane-3-carboxamide
CID 65155257
N-(2-chloroethyl)-2,4,5-trimethyloxolane-3-carboxamide
CID 65155289
N-butan-2-yl-2,4,5-trimethyloxolane-3-carboxamide
CID 65155399
2,4,5-trimethyl-N-(2-methylpropyl)oxolane-3-carboxamide
CID 65155451

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2,2-dimethylbutyl)-2,4,5-trimethyloxolane-3-carboxamide?
The IUPAC name of N-(4-chloro-2,2-dimethylbutyl)-2,4,5-trimethyloxolane-3-carboxamide (CID 114149321) is N-(4-chloro-2,2-dimethylbutyl)-2,4,5-trimethyloxolane-3-carboxamide.
What is the SMILES notation for N-(4-chloro-2,2-dimethylbutyl)-2,4,5-trimethyloxolane-3-carboxamide?
The canonical SMILES for N-(4-chloro-2,2-dimethylbutyl)-2,4,5-trimethyloxolane-3-carboxamide is CC1OC(C)C(C(=O)NCC(C)(C)CCCl)C1C.
What is the InChIKey of N-(4-chloro-2,2-dimethylbutyl)-2,4,5-trimethyloxolane-3-carboxamide?
The InChIKey is ASEJRQDVARFCQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26ClNO2/c1-9-10(2)18-11(3)12(9)13(17)16-8-14(4,5)6-7-15/h9-12H,6-8H2,1-5H3,(H,16,17).
What are the key properties of N-(4-chloro-2,2-dimethylbutyl)-2,4,5-trimethyloxolane-3-carboxamide?
N-(4-chloro-2,2-dimethylbutyl)-2,4,5-trimethyloxolane-3-carboxamide has a molecular weight of 275.82 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2,2-dimethylbutyl)-2,4,5-trimethyloxolane-3-carboxamide is sourced from PubChem (CID 114149321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).