2-(2-chlorophenyl)-N-(2-hydroxy-3-methoxy-2-methylpropyl)acetamide

C13H18ClNO3 — CID 90500955

IUPAC2-(2-chlorophenyl)-N-(2-hydroxy-3-methoxy-2-methylpropyl)acetamide
SMILESCOCC(C)(O)CNC(=O)Cc1ccccc1Cl
InChIInChI=1S/C13H18ClNO3/c1-13(17,9-18-2)8-15-12(16)7-10-5-3-4-6-11(10)14/h3-6,17H,7-9H2,1-2H3,(H,15,16)
InChIKeyGOHALAFSRVAMLB-UHFFFAOYSA-N
MW271.74 g/mol
LogP1.40
Rot. Bonds6

About 2-(2-chlorophenyl)-N-(2-hydroxy-3-methoxy-2-methylpropyl)acetamide

2-(2-chlorophenyl)-N-(2-hydroxy-3-methoxy-2-methylpropyl)acetamide (PubChem CID 90500955) has the molecular formula C13H18ClNO3 and a molecular weight of 271.74 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N-(2-hydroxy-3-methoxy-2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)-N-(2-hydroxy-3-methoxy-2-methylpropyl)acetamide
PubChem CID90500955
Molecular FormulaC13H18ClNO3
Molecular Weight271.74 g/mol
Exact Mass271.10
IUPAC Name2-(2-chlorophenyl)-N-(2-hydroxy-3-methoxy-2-methylpropyl)acetamide
SMILESCOCC(C)(O)CNC(=O)Cc1ccccc1Cl
InChIInChI=1S/C13H18ClNO3/c1-13(17,9-18-2)8-15-12(16)7-10-5-3-4-6-11(10)14/h3-6,17H,7-9H2,1-2H3,(H,15,16)
InChIKeyGOHALAFSRVAMLB-UHFFFAOYSA-N
XLogP1.40
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.74
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chlorophenyl)-N-(2-hydroxy-2-methylbutyl)acetamide
CID 65114916
methyl 3-[[2-(2-chlorophenyl)acetyl]amino]-2,2-dimethylpropanoate
CID 113254769
2-(2-chlorophenyl)-N-(2-hydroxy-2-methyl-4-phenylbutyl)acetamide
CID 90498486
3-(2-fluorophenyl)-N-(2-hydroxy-3-methoxy-2-methylpropyl)propanamide
CID 86264329
N-[(2S)-2-hydroxy-3-methoxy-2-methylpropyl]-2-(3-methylphenyl)acetamide
CID 95368841
3,4-dichloro-N-(2-hydroxy-3-methoxy-2-methylpropyl)benzamide
CID 90500989
2-(2-chlorophenyl)-N-[2-(ethylamino)-2-oxoethyl]acetamide
CID 9224527
1-[(4-chlorophenyl)methyl]-3-(2-hydroxy-3-methoxy-2-methylpropyl)urea
CID 56724283
1-(2-hydroxy-3-methoxy-2-methylpropyl)-3-(2-methylphenyl)urea
CID 56724275
2-(2-chlorophenyl)-N-(2-oxopropyl)acetamide
CID 64996556
2-(2-fluorophenoxy)-N-(2-hydroxy-3-methoxy-2-methylpropyl)acetamide
CID 90500952
N-[(2-chlorophenyl)methyl]-N'-(2-methoxyethyl)-2,2-dimethylpropanediamide
CID 108959459

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-N-(2-hydroxy-3-methoxy-2-methylpropyl)acetamide?
The IUPAC name of 2-(2-chlorophenyl)-N-(2-hydroxy-3-methoxy-2-methylpropyl)acetamide (CID 90500955) is 2-(2-chlorophenyl)-N-(2-hydroxy-3-methoxy-2-methylpropyl)acetamide.
What is the SMILES notation for 2-(2-chlorophenyl)-N-(2-hydroxy-3-methoxy-2-methylpropyl)acetamide?
The canonical SMILES for 2-(2-chlorophenyl)-N-(2-hydroxy-3-methoxy-2-methylpropyl)acetamide is COCC(C)(O)CNC(=O)Cc1ccccc1Cl.
What is the InChIKey of 2-(2-chlorophenyl)-N-(2-hydroxy-3-methoxy-2-methylpropyl)acetamide?
The InChIKey is GOHALAFSRVAMLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO3/c1-13(17,9-18-2)8-15-12(16)7-10-5-3-4-6-11(10)14/h3-6,17H,7-9H2,1-2H3,(H,15,16).
What are the key properties of 2-(2-chlorophenyl)-N-(2-hydroxy-3-methoxy-2-methylpropyl)acetamide?
2-(2-chlorophenyl)-N-(2-hydroxy-3-methoxy-2-methylpropyl)acetamide has a molecular weight of 271.74 g/mol, XLogP of 1.40, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-N-(2-hydroxy-3-methoxy-2-methylpropyl)acetamide is sourced from PubChem (CID 90500955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).