3-chloro-N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-methylpropanamide

C10H20ClNO2 — CID 79389720

IUPAC3-chloro-N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-methylpropanamide
SMILESCCN(CC(C)(C)O)C(=O)C(C)CCl
InChIInChI=1S/C10H20ClNO2/c1-5-12(7-10(3,4)14)9(13)8(2)6-11/h8,14H,5-7H2,1-4H3
InChIKeySUULKFOOACTARH-UHFFFAOYSA-N
MW221.73 g/mol
LogP1.48
Rot. Bonds5

About 3-chloro-N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-methylpropanamide

3-chloro-N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-methylpropanamide (PubChem CID 79389720) has the molecular formula C10H20ClNO2 and a molecular weight of 221.73 g/mol. Its IUPAC name is 3-chloro-N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-methylpropanamide.

Molecular Properties

Compound Name3-chloro-N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-methylpropanamide
PubChem CID79389720
Molecular FormulaC10H20ClNO2
Molecular Weight221.73 g/mol
Exact Mass221.12
IUPAC Name3-chloro-N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-methylpropanamide
SMILESCCN(CC(C)(C)O)C(=O)C(C)CCl
InChIInChI=1S/C10H20ClNO2/c1-5-12(7-10(3,4)14)9(13)8(2)6-11/h8,14H,5-7H2,1-4H3
InChIKeySUULKFOOACTARH-UHFFFAOYSA-N
XLogP1.48
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.73
LogP ≤ 51.48
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-ethyl-N-(2-hydroxy-2-methylpropyl)-2-sulfanylpropanamide
CID 107032116
N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-(methylamino)propanamide
CID 79378283
2-acetamido-N-ethyl-N-(2-hydroxy-2-methylpropyl)propanamide
CID 79382095
2-(aminomethyl)-N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-methylbutanamide
CID 79389818
N-ethyl-2-ethylsulfanyl-N-(2-hydroxy-2-methylpropyl)-3-methylbutanamide
CID 111596787
N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-methylbutanamide
CID 79387562
methyl 2-[(3-chloro-2-methylpropanoyl)-ethylamino]acetate
CID 62728356
(2R)-2-amino-N-ethyl-N-(2-hydroxy-2-methylpropyl)pentanamide
CID 107570081
(2S)-N,N-diethyl-2-methylbutanamide
CID 158106259
2-(carbamoylamino)-N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-methylbutanamide
CID 79387560
N,N-dibutyl-3-chloro-2-methylpropanamide
CID 62728082
3-chloro-N-[2-(dimethylamino)ethyl]-2-methyl-N-propylpropanamide
CID 62727054

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-methylpropanamide?
The IUPAC name of 3-chloro-N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-methylpropanamide (CID 79389720) is 3-chloro-N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-methylpropanamide.
What is the SMILES notation for 3-chloro-N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-methylpropanamide?
The canonical SMILES for 3-chloro-N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-methylpropanamide is CCN(CC(C)(C)O)C(=O)C(C)CCl.
What is the InChIKey of 3-chloro-N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-methylpropanamide?
The InChIKey is SUULKFOOACTARH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20ClNO2/c1-5-12(7-10(3,4)14)9(13)8(2)6-11/h8,14H,5-7H2,1-4H3.
What are the key properties of 3-chloro-N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-methylpropanamide?
3-chloro-N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-methylpropanamide has a molecular weight of 221.73 g/mol, XLogP of 1.48, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-methylpropanamide is sourced from PubChem (CID 79389720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).