2-chloro-4-methoxy-4-methyl-N-propan-2-ylpentanamide

C10H20ClNO2 — CID 106676366

IUPAC2-chloro-4-methoxy-4-methyl-N-propan-2-ylpentanamide
SMILESCOC(C)(C)CC(Cl)C(=O)NC(C)C
InChIInChI=1S/C10H20ClNO2/c1-7(2)12-9(13)8(11)6-10(3,4)14-5/h7-8H,6H2,1-5H3,(H,12,13)
InChIKeyOTBZDQDRMFIDBM-UHFFFAOYSA-N
MW221.73 g/mol
LogP1.93
Rot. Bonds5

About 2-chloro-4-methoxy-4-methyl-N-propan-2-ylpentanamide

2-chloro-4-methoxy-4-methyl-N-propan-2-ylpentanamide (PubChem CID 106676366) has the molecular formula C10H20ClNO2 and a molecular weight of 221.73 g/mol. Its IUPAC name is 2-chloro-4-methoxy-4-methyl-N-propan-2-ylpentanamide.

Molecular Properties

Compound Name2-chloro-4-methoxy-4-methyl-N-propan-2-ylpentanamide
PubChem CID106676366
Molecular FormulaC10H20ClNO2
Molecular Weight221.73 g/mol
Exact Mass221.12
IUPAC Name2-chloro-4-methoxy-4-methyl-N-propan-2-ylpentanamide
SMILESCOC(C)(C)CC(Cl)C(=O)NC(C)C
InChIInChI=1S/C10H20ClNO2/c1-7(2)12-9(13)8(11)6-10(3,4)14-5/h7-8H,6H2,1-5H3,(H,12,13)
InChIKeyOTBZDQDRMFIDBM-UHFFFAOYSA-N
XLogP1.93
TPSA38.33 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 ≤ 51.93
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

3-methoxy-3-methyl-N-propan-2-ylbutanamide
CID 103020990
methyl N-(4-methoxy-4-methylpentan-2-yl)carbamate
CID 173238206
methyl 4-methoxy-2,4-dimethylpentanoate
CID 22982800
N-(4-methoxy-4-methylpentan-2-yl)-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119803241
2-chloro-N-ethyl-4,4-dimethylpentanamide
CID 62966359
4-hydroxy-6-methoxy-3,6-dimethylheptanoic acid
CID 106676229
N-(4-methoxy-4-methylpentan-2-yl)hydroxylamine
CID 82684700
3-amino-4-[(2-methoxy-2-methylpropyl)amino]-4-oxobutanoic acid
CID 104761265
2-amino-N-(2-methoxy-2-methylpropyl)-4-methylpentanamide
CID 115739650
4-methoxy-2,4-dimethyl-2-(propan-2-ylamino)pentanamide
CID 60788184
2,3-diamino-N-propan-2-ylpropanamide
CID 166956225
2-methyl-4-oxo-N-propan-2-ylpentanamide
CID 88915731

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-methoxy-4-methyl-N-propan-2-ylpentanamide?
The IUPAC name of 2-chloro-4-methoxy-4-methyl-N-propan-2-ylpentanamide (CID 106676366) is 2-chloro-4-methoxy-4-methyl-N-propan-2-ylpentanamide.
What is the SMILES notation for 2-chloro-4-methoxy-4-methyl-N-propan-2-ylpentanamide?
The canonical SMILES for 2-chloro-4-methoxy-4-methyl-N-propan-2-ylpentanamide is COC(C)(C)CC(Cl)C(=O)NC(C)C.
What is the InChIKey of 2-chloro-4-methoxy-4-methyl-N-propan-2-ylpentanamide?
The InChIKey is OTBZDQDRMFIDBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20ClNO2/c1-7(2)12-9(13)8(11)6-10(3,4)14-5/h7-8H,6H2,1-5H3,(H,12,13).
What are the key properties of 2-chloro-4-methoxy-4-methyl-N-propan-2-ylpentanamide?
2-chloro-4-methoxy-4-methyl-N-propan-2-ylpentanamide has a molecular weight of 221.73 g/mol, XLogP of 1.93, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-methoxy-4-methyl-N-propan-2-ylpentanamide is sourced from PubChem (CID 106676366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).