N-(4-chlorooxolan-3-yl)-2,3-dimethylbutanamide

C10H18ClNO2 — CID 130655574

IUPACN-(4-chlorooxolan-3-yl)-2,3-dimethylbutanamide
SMILESCC(C)C(C)C(=O)NC1COCC1Cl
InChIInChI=1S/C10H18ClNO2/c1-6(2)7(3)10(13)12-9-5-14-4-8(9)11/h6-9H,4-5H2,1-3H3,(H,12,13)
InChIKeyNOIOLYXESXNYFA-UHFFFAOYSA-N
MW219.71 g/mol
LogP1.40
Rot. Bonds3

About N-(4-chlorooxolan-3-yl)-2,3-dimethylbutanamide

N-(4-chlorooxolan-3-yl)-2,3-dimethylbutanamide (PubChem CID 130655574) has the molecular formula C10H18ClNO2 and a molecular weight of 219.71 g/mol. Its IUPAC name is N-(4-chlorooxolan-3-yl)-2,3-dimethylbutanamide.

Molecular Properties

Compound NameN-(4-chlorooxolan-3-yl)-2,3-dimethylbutanamide
PubChem CID130655574
Molecular FormulaC10H18ClNO2
Molecular Weight219.71 g/mol
Exact Mass219.10
IUPAC NameN-(4-chlorooxolan-3-yl)-2,3-dimethylbutanamide
SMILESCC(C)C(C)C(=O)NC1COCC1Cl
InChIInChI=1S/C10H18ClNO2/c1-6(2)7(3)10(13)12-9-5-14-4-8(9)11/h6-9H,4-5H2,1-3H3,(H,12,13)
InChIKeyNOIOLYXESXNYFA-UHFFFAOYSA-N
XLogP1.40
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.71
LogP ≤ 51.40
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

2,3-dimethyl-4-(oxetan-3-ylamino)-4-oxobutanoic acid
CID 103498793
(2S)-2-hydroxy-N-[(3S,4R)-4-methoxyoxolan-3-yl]propanamide
CID 130758102
4-[[(2R)-2-aminopropanoyl]amino]oxolane-3-carboxylic acid
CID 66238925
N-(4-chlorooxolan-3-yl)-1H-pyrazole-4-carboxamide
CID 130751470
2,3-dimethyl-N-[(1S,2R)-2-phenylcyclopropyl]butanamide
CID 118334207
N-(4-chlorooxolan-3-yl)-2H-triazole-4-carboxamide
CID 127002033
N-[(3R,4S)-4-acetamidooxolan-3-yl]-2-ethylbutanamide
CID 134313616
N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]-2,3-dimethylbutanamide
CID 77015707
N-(4-aminooxolan-3-yl)acetamide
CID 130680289
4-chlorooxolan-3-ol;formic acid
CID 71345549
(2S)-2-amino-N-(3-methyloxan-4-yl)propanamide
CID 130491694
2-[[(3R,4S)-4-hydroxyoxolan-3-yl]amino]-N-methylpropanamide
CID 131209286

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorooxolan-3-yl)-2,3-dimethylbutanamide?
The IUPAC name of N-(4-chlorooxolan-3-yl)-2,3-dimethylbutanamide (CID 130655574) is N-(4-chlorooxolan-3-yl)-2,3-dimethylbutanamide.
What is the SMILES notation for N-(4-chlorooxolan-3-yl)-2,3-dimethylbutanamide?
The canonical SMILES for N-(4-chlorooxolan-3-yl)-2,3-dimethylbutanamide is CC(C)C(C)C(=O)NC1COCC1Cl.
What is the InChIKey of N-(4-chlorooxolan-3-yl)-2,3-dimethylbutanamide?
The InChIKey is NOIOLYXESXNYFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18ClNO2/c1-6(2)7(3)10(13)12-9-5-14-4-8(9)11/h6-9H,4-5H2,1-3H3,(H,12,13).
What are the key properties of N-(4-chlorooxolan-3-yl)-2,3-dimethylbutanamide?
N-(4-chlorooxolan-3-yl)-2,3-dimethylbutanamide has a molecular weight of 219.71 g/mol, XLogP of 1.40, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorooxolan-3-yl)-2,3-dimethylbutanamide is sourced from PubChem (CID 130655574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).