3-(2-chlorophenoxy)-N-(2,4,4-trimethylpentan-2-yl)propanamide

C17H26ClNO2 — CID 108789472

IUPAC3-(2-chlorophenoxy)-N-(2,4,4-trimethylpentan-2-yl)propanamide
SMILESCC(C)(C)CC(C)(C)NC(=O)CCOc1ccccc1Cl
InChIInChI=1S/C17H26ClNO2/c1-16(2,3)12-17(4,5)19-15(20)10-11-21-14-9-7-6-8-13(14)18/h6-9H,10-12H2,1-5H3,(H,19,20)
InChIKeyGDAFPHBRPCUIPC-UHFFFAOYSA-N
MW311.85 g/mol
LogP4.44
Rot. Bonds6

About 3-(2-chlorophenoxy)-N-(2,4,4-trimethylpentan-2-yl)propanamide

3-(2-chlorophenoxy)-N-(2,4,4-trimethylpentan-2-yl)propanamide (PubChem CID 108789472) has the molecular formula C17H26ClNO2 and a molecular weight of 311.85 g/mol. Its IUPAC name is 3-(2-chlorophenoxy)-N-(2,4,4-trimethylpentan-2-yl)propanamide.

Molecular Properties

Compound Name3-(2-chlorophenoxy)-N-(2,4,4-trimethylpentan-2-yl)propanamide
PubChem CID108789472
Molecular FormulaC17H26ClNO2
Molecular Weight311.85 g/mol
Exact Mass311.17
IUPAC Name3-(2-chlorophenoxy)-N-(2,4,4-trimethylpentan-2-yl)propanamide
SMILESCC(C)(C)CC(C)(C)NC(=O)CCOc1ccccc1Cl
InChIInChI=1S/C17H26ClNO2/c1-16(2,3)12-17(4,5)19-15(20)10-11-21-14-9-7-6-8-13(14)18/h6-9H,10-12H2,1-5H3,(H,19,20)
InChIKeyGDAFPHBRPCUIPC-UHFFFAOYSA-N
XLogP4.44
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.85
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-chlorophenoxy)-N-(1-hydroxy-4,4-dimethylpentan-3-yl)propanamide
CID 103940851
N-(1-amino-2-methylpropan-2-yl)-3-(2-bromophenoxy)propanamide
CID 119521510
N-(1-amino-2-methylpropan-2-yl)-2-(2-chlorophenoxy)acetamide;hydrochloride
CID 119523302
4-[3-(2-chlorophenoxy)propanoylamino]-3-hydroxy-3-methylbutanoic acid
CID 66002321
3-(2-chlorophenoxy)-N-(4-methylphenyl)propanamide
CID 39087955
methyl 2-[3-(2-chlorophenoxy)propanoylamino]propanoate
CID 60753235
N-(2-aminoethyl)-3-(2-chlorophenoxy)propanamide;hydrochloride
CID 119383062
3-(2-chlorophenoxy)-N-decylpropanamide
CID 108789478
3-[3-(2-chlorophenoxy)propanoylamino]-2-methylpropanoic acid
CID 62676014
2-[3-(2-chlorophenoxy)propanoylamino]-3-methylbutanoic acid
CID 43353996
2-[3-(2-chlorophenoxy)propanoylamino]butanoic acid
CID 43469356
N-(2-chlorophenyl)-N'-(2,4,4-trimethylpentan-2-yl)oxamide
CID 108500305

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenoxy)-N-(2,4,4-trimethylpentan-2-yl)propanamide?
The IUPAC name of 3-(2-chlorophenoxy)-N-(2,4,4-trimethylpentan-2-yl)propanamide (CID 108789472) is 3-(2-chlorophenoxy)-N-(2,4,4-trimethylpentan-2-yl)propanamide.
What is the SMILES notation for 3-(2-chlorophenoxy)-N-(2,4,4-trimethylpentan-2-yl)propanamide?
The canonical SMILES for 3-(2-chlorophenoxy)-N-(2,4,4-trimethylpentan-2-yl)propanamide is CC(C)(C)CC(C)(C)NC(=O)CCOc1ccccc1Cl.
What is the InChIKey of 3-(2-chlorophenoxy)-N-(2,4,4-trimethylpentan-2-yl)propanamide?
The InChIKey is GDAFPHBRPCUIPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClNO2/c1-16(2,3)12-17(4,5)19-15(20)10-11-21-14-9-7-6-8-13(14)18/h6-9H,10-12H2,1-5H3,(H,19,20).
What are the key properties of 3-(2-chlorophenoxy)-N-(2,4,4-trimethylpentan-2-yl)propanamide?
3-(2-chlorophenoxy)-N-(2,4,4-trimethylpentan-2-yl)propanamide has a molecular weight of 311.85 g/mol, XLogP of 4.44, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenoxy)-N-(2,4,4-trimethylpentan-2-yl)propanamide is sourced from PubChem (CID 108789472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).