N-(3-chloropropyl)-N-cyclobutyl-2-(oxolan-2-yl)acetamide

C13H22ClNO2 — CID 102872121

IUPACN-(3-chloropropyl)-N-cyclobutyl-2-(oxolan-2-yl)acetamide
SMILESO=C(CC1CCCO1)N(CCCCl)C1CCC1
InChIInChI=1S/C13H22ClNO2/c14-7-3-8-15(11-4-1-5-11)13(16)10-12-6-2-9-17-12/h11-12H,1-10H2
InChIKeyRZTZAIHHOBYMRU-UHFFFAOYSA-N
MW259.78 g/mol
LogP2.57
Rot. Bonds6

About N-(3-chloropropyl)-N-cyclobutyl-2-(oxolan-2-yl)acetamide

N-(3-chloropropyl)-N-cyclobutyl-2-(oxolan-2-yl)acetamide (PubChem CID 102872121) has the molecular formula C13H22ClNO2 and a molecular weight of 259.78 g/mol. Its IUPAC name is N-(3-chloropropyl)-N-cyclobutyl-2-(oxolan-2-yl)acetamide.

Molecular Properties

Compound NameN-(3-chloropropyl)-N-cyclobutyl-2-(oxolan-2-yl)acetamide
PubChem CID102872121
Molecular FormulaC13H22ClNO2
Molecular Weight259.78 g/mol
Exact Mass259.13
IUPAC NameN-(3-chloropropyl)-N-cyclobutyl-2-(oxolan-2-yl)acetamide
SMILESO=C(CC1CCCO1)N(CCCCl)C1CCC1
InChIInChI=1S/C13H22ClNO2/c14-7-3-8-15(11-4-1-5-11)13(16)10-12-6-2-9-17-12/h11-12H,1-10H2
InChIKeyRZTZAIHHOBYMRU-UHFFFAOYSA-N
XLogP2.57
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.78
LogP ≤ 52.57
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

N-(3-aminopropyl)-N-cyclobutyl-2-(oxan-2-yl)acetamide
CID 102873969
N-butyl-N-(2-chloroethyl)-2-(oxolan-2-yl)acetamide
CID 65159288
N-(3-chloropropyl)-N-[2-(oxolan-2-yl)ethyl]cyclobutanamine
CID 102860592
N-(3-chloropropyl)-N-cyclobutylbutanamide
CID 102872148
N-(3-aminopropyl)-N-cyclohexyl-3-(oxolan-2-yl)propanamide
CID 65152218
N-(2-chloroethyl)-N-cyclobutyl-2-cyclopropylacetamide
CID 102872541
N-(2-chloroethyl)-N,2-di(cyclobutyl)acetamide
CID 103166954
N-(3-chloropropyl)-N-cyclobutyl-2-ethoxyacetamide
CID 102871906
N-(2-aminoethyl)-N-cyclobutyl-3-(oxolan-2-yl)propanamide
CID 102874215
N-(1-chloropropan-2-yl)-N-methyl-2-(oxolan-2-yl)acetamide
CID 104555697
N-(2-amino-2-oxoethyl)-2-(oxolan-2-yl)-N-pyrrolidin-3-ylacetamide
CID 65157348
1-chloro-7-(oxolan-2-yl)heptan-4-one
CID 66044442

Frequently Asked Questions

What is the IUPAC name of N-(3-chloropropyl)-N-cyclobutyl-2-(oxolan-2-yl)acetamide?
The IUPAC name of N-(3-chloropropyl)-N-cyclobutyl-2-(oxolan-2-yl)acetamide (CID 102872121) is N-(3-chloropropyl)-N-cyclobutyl-2-(oxolan-2-yl)acetamide.
What is the SMILES notation for N-(3-chloropropyl)-N-cyclobutyl-2-(oxolan-2-yl)acetamide?
The canonical SMILES for N-(3-chloropropyl)-N-cyclobutyl-2-(oxolan-2-yl)acetamide is O=C(CC1CCCO1)N(CCCCl)C1CCC1.
What is the InChIKey of N-(3-chloropropyl)-N-cyclobutyl-2-(oxolan-2-yl)acetamide?
The InChIKey is RZTZAIHHOBYMRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22ClNO2/c14-7-3-8-15(11-4-1-5-11)13(16)10-12-6-2-9-17-12/h11-12H,1-10H2.
What are the key properties of N-(3-chloropropyl)-N-cyclobutyl-2-(oxolan-2-yl)acetamide?
N-(3-chloropropyl)-N-cyclobutyl-2-(oxolan-2-yl)acetamide has a molecular weight of 259.78 g/mol, XLogP of 2.57, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloropropyl)-N-cyclobutyl-2-(oxolan-2-yl)acetamide is sourced from PubChem (CID 102872121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).