N-(2-chloroethyl)-N-cyclobutyl-2-methyloxolane-2-carboxamide

C12H20ClNO2 — CID 102872791

IUPACN-(2-chloroethyl)-N-cyclobutyl-2-methyloxolane-2-carboxamide
SMILESCC1(C(=O)N(CCCl)C2CCC2)CCCO1
InChIInChI=1S/C12H20ClNO2/c1-12(6-3-9-16-12)11(15)14(8-7-13)10-4-2-5-10/h10H,2-9H2,1H3
InChIKeyHDSPZDXTLDJVTI-UHFFFAOYSA-N
MW245.75 g/mol
LogP2.18
Rot. Bonds4

About N-(2-chloroethyl)-N-cyclobutyl-2-methyloxolane-2-carboxamide

N-(2-chloroethyl)-N-cyclobutyl-2-methyloxolane-2-carboxamide (PubChem CID 102872791) has the molecular formula C12H20ClNO2 and a molecular weight of 245.75 g/mol. Its IUPAC name is N-(2-chloroethyl)-N-cyclobutyl-2-methyloxolane-2-carboxamide.

Molecular Properties

Compound NameN-(2-chloroethyl)-N-cyclobutyl-2-methyloxolane-2-carboxamide
PubChem CID102872791
Molecular FormulaC12H20ClNO2
Molecular Weight245.75 g/mol
Exact Mass245.12
IUPAC NameN-(2-chloroethyl)-N-cyclobutyl-2-methyloxolane-2-carboxamide
SMILESCC1(C(=O)N(CCCl)C2CCC2)CCCO1
InChIInChI=1S/C12H20ClNO2/c1-12(6-3-9-16-12)11(15)14(8-7-13)10-4-2-5-10/h10H,2-9H2,1H3
InChIKeyHDSPZDXTLDJVTI-UHFFFAOYSA-N
XLogP2.18
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.75
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 81451854
N-(azepan-4-yl)-N,2-dimethyloxolane-2-carboxamide
CID 107172424
N-cyclopropyl-N-(1H-indol-5-ylmethyl)-2-methyloxolane-2-carboxamide
CID 119070678
N-(1-chloropropan-2-yl)-2-methyloxolane-2-carboxamide
CID 114299647
N-(2-hydroxyethyl)-2-methyl-N-(pyrrolidin-2-ylmethyl)oxolane-2-carboxamide
CID 106612762
N-(1-bromopropan-2-yl)-N,2-dimethyloxolane-2-carboxamide
CID 104556256
N-(2-chloroethyl)-N-cyclopentylcyclohexanecarboxamide
CID 55187406
N-(2-chloroethyl)-N-cyclobutylcyclohexanecarboxamide
CID 102872561
(2-methyloxolan-2-yl)-(oxan-3-yl)methanone
CID 107135958
N-(2-chloroethyl)-N-cyclopropyl-2,2-dimethylcyclohexane-1-carboxamide
CID 107183873
(2R)-N,2-dimethyl-N-[2-(1-methylpyrazol-4-yl)ethyl]oxolane-2-carboxamide
CID 126437889
N-(2-bromoethyl)-N-cyclopentyl-1-methylcyclopentane-1-carboxamide
CID 80659500

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-N-cyclobutyl-2-methyloxolane-2-carboxamide?
The IUPAC name of N-(2-chloroethyl)-N-cyclobutyl-2-methyloxolane-2-carboxamide (CID 102872791) is N-(2-chloroethyl)-N-cyclobutyl-2-methyloxolane-2-carboxamide.
What is the SMILES notation for N-(2-chloroethyl)-N-cyclobutyl-2-methyloxolane-2-carboxamide?
The canonical SMILES for N-(2-chloroethyl)-N-cyclobutyl-2-methyloxolane-2-carboxamide is CC1(C(=O)N(CCCl)C2CCC2)CCCO1.
What is the InChIKey of N-(2-chloroethyl)-N-cyclobutyl-2-methyloxolane-2-carboxamide?
The InChIKey is HDSPZDXTLDJVTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20ClNO2/c1-12(6-3-9-16-12)11(15)14(8-7-13)10-4-2-5-10/h10H,2-9H2,1H3.
What are the key properties of N-(2-chloroethyl)-N-cyclobutyl-2-methyloxolane-2-carboxamide?
N-(2-chloroethyl)-N-cyclobutyl-2-methyloxolane-2-carboxamide has a molecular weight of 245.75 g/mol, XLogP of 2.18, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-N-cyclobutyl-2-methyloxolane-2-carboxamide is sourced from PubChem (CID 102872791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).