N-(1-chloro-4-methylpentan-2-yl)-2-(oxolan-2-yl)acetamide

C12H22ClNO2 — CID 114300771

IUPACN-(1-chloro-4-methylpentan-2-yl)-2-(oxolan-2-yl)acetamide
SMILESCC(C)CC(CCl)NC(=O)CC1CCCO1
InChIInChI=1S/C12H22ClNO2/c1-9(2)6-10(8-13)14-12(15)7-11-4-3-5-16-11/h9-11H,3-8H2,1-2H3,(H,14,15)
InChIKeyZSOGEOFSUZEHGN-UHFFFAOYSA-N
MW247.77 g/mol
LogP2.33
Rot. Bonds6

About N-(1-chloro-4-methylpentan-2-yl)-2-(oxolan-2-yl)acetamide

N-(1-chloro-4-methylpentan-2-yl)-2-(oxolan-2-yl)acetamide (PubChem CID 114300771) has the molecular formula C12H22ClNO2 and a molecular weight of 247.77 g/mol. Its IUPAC name is N-(1-chloro-4-methylpentan-2-yl)-2-(oxolan-2-yl)acetamide.

Molecular Properties

Compound NameN-(1-chloro-4-methylpentan-2-yl)-2-(oxolan-2-yl)acetamide
PubChem CID114300771
Molecular FormulaC12H22ClNO2
Molecular Weight247.77 g/mol
Exact Mass247.13
IUPAC NameN-(1-chloro-4-methylpentan-2-yl)-2-(oxolan-2-yl)acetamide
SMILESCC(C)CC(CCl)NC(=O)CC1CCCO1
InChIInChI=1S/C12H22ClNO2/c1-9(2)6-10(8-13)14-12(15)7-11-4-3-5-16-11/h9-11H,3-8H2,1-2H3,(H,14,15)
InChIKeyZSOGEOFSUZEHGN-UHFFFAOYSA-N
XLogP2.33
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.77
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(2R)-4-methyl-2-[[2-[(2S)-oxolan-2-yl]acetyl]amino]pentyl]-2-[(2S)-oxolan-2-yl]acetamide
CID 95333344
N-(1-chloro-4-methylpentan-2-yl)-3-(oxan-2-yl)propanamide
CID 113272518
N-(1-chloro-4-methylpentan-2-yl)oxolane-2-carboxamide
CID 114300828
N-(1-bromo-4-methylpentan-2-yl)-3-(oxolan-2-yl)propanamide
CID 114311800
(2S,3S)-3-methyl-2-[[2-(oxolan-2-yl)acetyl]amino]pentanoic acid
CID 65157376
N-(1-amino-1-hydroxyiminopropan-2-yl)-2-(oxolan-2-yl)acetamide
CID 77057681
N-(1-chloro-4-methylpentan-2-yl)-3-methylbutanamide
CID 114300786
2-(oxolan-2-yl)-N-(1-pyrrolidin-3-ylethyl)acetamide
CID 103977080
N-(2-acetamidoethyl)-2-(oxolan-2-yl)acetamide
CID 110696614
N-(1-chloro-4-methylpentan-2-yl)cyclooctanecarboxamide
CID 113272544
N-[3-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)butyl]-2-(oxan-2-yl)acetamide
CID 110627459
N-(3-chloro-2,2-dimethylpropyl)-2-(oxolan-2-yl)acetamide
CID 115364529

Frequently Asked Questions

What is the IUPAC name of N-(1-chloro-4-methylpentan-2-yl)-2-(oxolan-2-yl)acetamide?
The IUPAC name of N-(1-chloro-4-methylpentan-2-yl)-2-(oxolan-2-yl)acetamide (CID 114300771) is N-(1-chloro-4-methylpentan-2-yl)-2-(oxolan-2-yl)acetamide.
What is the SMILES notation for N-(1-chloro-4-methylpentan-2-yl)-2-(oxolan-2-yl)acetamide?
The canonical SMILES for N-(1-chloro-4-methylpentan-2-yl)-2-(oxolan-2-yl)acetamide is CC(C)CC(CCl)NC(=O)CC1CCCO1.
What is the InChIKey of N-(1-chloro-4-methylpentan-2-yl)-2-(oxolan-2-yl)acetamide?
The InChIKey is ZSOGEOFSUZEHGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22ClNO2/c1-9(2)6-10(8-13)14-12(15)7-11-4-3-5-16-11/h9-11H,3-8H2,1-2H3,(H,14,15).
What are the key properties of N-(1-chloro-4-methylpentan-2-yl)-2-(oxolan-2-yl)acetamide?
N-(1-chloro-4-methylpentan-2-yl)-2-(oxolan-2-yl)acetamide has a molecular weight of 247.77 g/mol, XLogP of 2.33, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-chloro-4-methylpentan-2-yl)-2-(oxolan-2-yl)acetamide is sourced from PubChem (CID 114300771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).