3-chloro-N-(1-methoxypropan-2-yl)-N,2,2-trimethylpropanamide

C10H20ClNO2 — CID 63665899

IUPAC3-chloro-N-(1-methoxypropan-2-yl)-N,2,2-trimethylpropanamide
SMILESCOCC(C)N(C)C(=O)C(C)(C)CCl
InChIInChI=1S/C10H20ClNO2/c1-8(6-14-5)12(4)9(13)10(2,3)7-11/h8H,6-7H2,1-5H3
InChIKeyUHZDAMWANKPWFS-UHFFFAOYSA-N
MW221.73 g/mol
LogP1.74
Rot. Bonds5

About 3-chloro-N-(1-methoxypropan-2-yl)-N,2,2-trimethylpropanamide

3-chloro-N-(1-methoxypropan-2-yl)-N,2,2-trimethylpropanamide (PubChem CID 63665899) has the molecular formula C10H20ClNO2 and a molecular weight of 221.73 g/mol. Its IUPAC name is 3-chloro-N-(1-methoxypropan-2-yl)-N,2,2-trimethylpropanamide.

Molecular Properties

Compound Name3-chloro-N-(1-methoxypropan-2-yl)-N,2,2-trimethylpropanamide
PubChem CID63665899
Molecular FormulaC10H20ClNO2
Molecular Weight221.73 g/mol
Exact Mass221.12
IUPAC Name3-chloro-N-(1-methoxypropan-2-yl)-N,2,2-trimethylpropanamide
SMILESCOCC(C)N(C)C(=O)C(C)(C)CCl
InChIInChI=1S/C10H20ClNO2/c1-8(6-14-5)12(4)9(13)10(2,3)7-11/h8H,6-7H2,1-5H3
InChIKeyUHZDAMWANKPWFS-UHFFFAOYSA-N
XLogP1.74
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.73
LogP ≤ 51.74
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-butan-2-yl-3-chloro-N,2,2-trimethylpropanamide
CID 63679965
4-chloro-N-(1-methoxypropan-2-yl)-N-methylbutanamide
CID 63307610
3-[1-methoxypropan-2-yl(methyl)amino]-2,2-dimethylpropanoic acid
CID 62271402
3-chloro-N,2,2-trimethyl-N-(2-methylbutyl)propanamide
CID 63680154
4-[1-methoxypropan-2-yl(methyl)amino]-2-methyl-4-oxo-2-propan-2-ylbutanoic acid
CID 60949595
5-hydroxy-N-(1-methoxypropan-2-yl)-N-methylpentanamide
CID 79198964
3-chloro-N,2,2-trimethyl-N-[1-(4-methylphenyl)ethyl]propanamide
CID 63681333
N-(1-hydroxypropan-2-yl)-N,2,2-trimethylbutanamide
CID 104553489
3-chloro-N,2,2-trimethyl-N-(2-methylbutan-2-yl)propanamide
CID 63966651
N-(1-methoxypropan-2-yl)-N-methylcyclopropanecarboxamide
CID 60794013
3-chloro-N,2,2-trimethyl-N-(1-pyridin-4-ylethyl)propanamide
CID 63665480
3-chloro-N-[1-(2-chlorophenyl)ethyl]-N,2,2-trimethylpropanamide
CID 63681334

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(1-methoxypropan-2-yl)-N,2,2-trimethylpropanamide?
The IUPAC name of 3-chloro-N-(1-methoxypropan-2-yl)-N,2,2-trimethylpropanamide (CID 63665899) is 3-chloro-N-(1-methoxypropan-2-yl)-N,2,2-trimethylpropanamide.
What is the SMILES notation for 3-chloro-N-(1-methoxypropan-2-yl)-N,2,2-trimethylpropanamide?
The canonical SMILES for 3-chloro-N-(1-methoxypropan-2-yl)-N,2,2-trimethylpropanamide is COCC(C)N(C)C(=O)C(C)(C)CCl.
What is the InChIKey of 3-chloro-N-(1-methoxypropan-2-yl)-N,2,2-trimethylpropanamide?
The InChIKey is UHZDAMWANKPWFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20ClNO2/c1-8(6-14-5)12(4)9(13)10(2,3)7-11/h8H,6-7H2,1-5H3.
What are the key properties of 3-chloro-N-(1-methoxypropan-2-yl)-N,2,2-trimethylpropanamide?
3-chloro-N-(1-methoxypropan-2-yl)-N,2,2-trimethylpropanamide has a molecular weight of 221.73 g/mol, XLogP of 1.74, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(1-methoxypropan-2-yl)-N,2,2-trimethylpropanamide is sourced from PubChem (CID 63665899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).