N-butyl-N-(2-chloroethyl)-2-(oxolan-2-yl)acetamide

C12H22ClNO2 — CID 65159288

IUPACN-butyl-N-(2-chloroethyl)-2-(oxolan-2-yl)acetamide
SMILESCCCCN(CCCl)C(=O)CC1CCCO1
InChIInChI=1S/C12H22ClNO2/c1-2-3-7-14(8-6-13)12(15)10-11-5-4-9-16-11/h11H,2-10H2,1H3
InChIKeyRZONONHIUCQBPO-UHFFFAOYSA-N
MW247.77 g/mol
LogP2.42
Rot. Bonds7

About N-butyl-N-(2-chloroethyl)-2-(oxolan-2-yl)acetamide

N-butyl-N-(2-chloroethyl)-2-(oxolan-2-yl)acetamide (PubChem CID 65159288) has the molecular formula C12H22ClNO2 and a molecular weight of 247.77 g/mol. Its IUPAC name is N-butyl-N-(2-chloroethyl)-2-(oxolan-2-yl)acetamide.

Molecular Properties

Compound NameN-butyl-N-(2-chloroethyl)-2-(oxolan-2-yl)acetamide
PubChem CID65159288
Molecular FormulaC12H22ClNO2
Molecular Weight247.77 g/mol
Exact Mass247.13
IUPAC NameN-butyl-N-(2-chloroethyl)-2-(oxolan-2-yl)acetamide
SMILESCCCCN(CCCl)C(=O)CC1CCCO1
InChIInChI=1S/C12H22ClNO2/c1-2-3-7-14(8-6-13)12(15)10-11-5-4-9-16-11/h11H,2-10H2,1H3
InChIKeyRZONONHIUCQBPO-UHFFFAOYSA-N
XLogP2.42
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.77
LogP ≤ 52.42
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-chloropropyl)-N-cyclobutyl-2-(oxolan-2-yl)acetamide
CID 102872121
N-(2-amino-2-sulfanylideneethyl)-2-(oxolan-2-yl)-N-propylacetamide
CID 65155966
N-(1-chloropropan-2-yl)-N-methyl-2-(oxolan-2-yl)acetamide
CID 104555697
N,N-dibutyl-2-cyclopentylacetamide
CID 13315634
N-butyl-N-methyl-3-(oxolan-2-yl)propanamide
CID 86929613
N-(3-amino-3-sulfanylidenepropyl)-N-ethyl-2-(oxolan-2-yl)acetamide
CID 65155617
N,N-dibutyloxolane-2-carboxamide
CID 3414196
2-(oxolan-2-yl)-N-(piperidin-3-ylmethyl)-N-propylacetamide
CID 106628324
N-butyl-N-(2-chloroethyl)cyclobutanecarboxamide
CID 63391533
N-(2-aminoethyl)-N-(2-methoxyethyl)-2-(oxan-2-yl)acetamide
CID 113468413
3-[butyl(oxolan-2-ylmethyl)amino]-2-methylpropanoic acid
CID 82328219
N-butyl-N-(2-chloroethyl)-3-methylbutanamide
CID 63390877

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-(2-chloroethyl)-2-(oxolan-2-yl)acetamide?
The IUPAC name of N-butyl-N-(2-chloroethyl)-2-(oxolan-2-yl)acetamide (CID 65159288) is N-butyl-N-(2-chloroethyl)-2-(oxolan-2-yl)acetamide.
What is the SMILES notation for N-butyl-N-(2-chloroethyl)-2-(oxolan-2-yl)acetamide?
The canonical SMILES for N-butyl-N-(2-chloroethyl)-2-(oxolan-2-yl)acetamide is CCCCN(CCCl)C(=O)CC1CCCO1.
What is the InChIKey of N-butyl-N-(2-chloroethyl)-2-(oxolan-2-yl)acetamide?
The InChIKey is RZONONHIUCQBPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22ClNO2/c1-2-3-7-14(8-6-13)12(15)10-11-5-4-9-16-11/h11H,2-10H2,1H3.
What are the key properties of N-butyl-N-(2-chloroethyl)-2-(oxolan-2-yl)acetamide?
N-butyl-N-(2-chloroethyl)-2-(oxolan-2-yl)acetamide has a molecular weight of 247.77 g/mol, XLogP of 2.42, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-(2-chloroethyl)-2-(oxolan-2-yl)acetamide is sourced from PubChem (CID 65159288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).