3-chloro-N,2-dimethyl-N-(2-methyloxolan-3-yl)propanamide

C10H18ClNO2 — CID 82734199

IUPAC3-chloro-N,2-dimethyl-N-(2-methyloxolan-3-yl)propanamide
SMILESCC(CCl)C(=O)N(C)C1CCOC1C
InChIInChI=1S/C10H18ClNO2/c1-7(6-11)10(13)12(3)9-4-5-14-8(9)2/h7-9H,4-6H2,1-3H3
InChIKeyRIXWMFYLVVMIKF-UHFFFAOYSA-N
MW219.71 g/mol
LogP1.50
Rot. Bonds3

About 3-chloro-N,2-dimethyl-N-(2-methyloxolan-3-yl)propanamide

3-chloro-N,2-dimethyl-N-(2-methyloxolan-3-yl)propanamide (PubChem CID 82734199) has the molecular formula C10H18ClNO2 and a molecular weight of 219.71 g/mol. Its IUPAC name is 3-chloro-N,2-dimethyl-N-(2-methyloxolan-3-yl)propanamide.

Molecular Properties

Compound Name3-chloro-N,2-dimethyl-N-(2-methyloxolan-3-yl)propanamide
PubChem CID82734199
Molecular FormulaC10H18ClNO2
Molecular Weight219.71 g/mol
Exact Mass219.10
IUPAC Name3-chloro-N,2-dimethyl-N-(2-methyloxolan-3-yl)propanamide
SMILESCC(CCl)C(=O)N(C)C1CCOC1C
InChIInChI=1S/C10H18ClNO2/c1-7(6-11)10(13)12(3)9-4-5-14-8(9)2/h7-9H,4-6H2,1-3H3
InChIKeyRIXWMFYLVVMIKF-UHFFFAOYSA-N
XLogP1.50
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.71
LogP ≤ 51.50
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

3-(ethylamino)-N,2-dimethyl-N-(2-methyloxolan-3-yl)propanamide
CID 82738487
N-methyl-N-(2-methyloxolan-3-yl)-2-sulfanylpropanamide
CID 107033647
5-amino-N,2-dimethyl-N-(2-methyloxolan-3-yl)pentanamide
CID 104685498
2-chloro-N-methyl-N-(2-methyloxolan-3-yl)acetamide
CID 82733963
(2S)-2-amino-N,3-dimethyl-N-(2-methyloxolan-3-yl)pentanamide
CID 82738020
3-chloro-N-cyclopropyl-N,2-dimethylpropanamide
CID 62729219
2-cyano-N-methyl-N-(2-methyloxolan-3-yl)pentanamide
CID 82738802
2-(N'-hydroxycarbamimidoyl)-N-methyl-N-(2-methyloxolan-3-yl)butanamide
CID 82749456
5-amino-N-methyl-N-(2-methyloxolan-3-yl)hexanamide
CID 82853868
methyl N-methyl-N-(2-methyloxolan-3-yl)carbamate
CID 116657138
3-methyl-1-[methyl-(2-methyloxolan-3-yl)amino]butan-2-one
CID 82742069
N-methyl-N-(2-methyloxolan-3-yl)bicyclo[3.1.0]hexane-3-carboxamide
CID 82745104

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N,2-dimethyl-N-(2-methyloxolan-3-yl)propanamide?
The IUPAC name of 3-chloro-N,2-dimethyl-N-(2-methyloxolan-3-yl)propanamide (CID 82734199) is 3-chloro-N,2-dimethyl-N-(2-methyloxolan-3-yl)propanamide.
What is the SMILES notation for 3-chloro-N,2-dimethyl-N-(2-methyloxolan-3-yl)propanamide?
The canonical SMILES for 3-chloro-N,2-dimethyl-N-(2-methyloxolan-3-yl)propanamide is CC(CCl)C(=O)N(C)C1CCOC1C.
What is the InChIKey of 3-chloro-N,2-dimethyl-N-(2-methyloxolan-3-yl)propanamide?
The InChIKey is RIXWMFYLVVMIKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18ClNO2/c1-7(6-11)10(13)12(3)9-4-5-14-8(9)2/h7-9H,4-6H2,1-3H3.
What are the key properties of 3-chloro-N,2-dimethyl-N-(2-methyloxolan-3-yl)propanamide?
3-chloro-N,2-dimethyl-N-(2-methyloxolan-3-yl)propanamide has a molecular weight of 219.71 g/mol, XLogP of 1.50, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N,2-dimethyl-N-(2-methyloxolan-3-yl)propanamide is sourced from PubChem (CID 82734199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).