2-(4-chlorophenoxy)-N-methyl-N-(oxolan-2-ylmethyl)acetamide

C14H18ClNO3 — CID 110733141

IUPAC2-(4-chlorophenoxy)-N-methyl-N-(oxolan-2-ylmethyl)acetamide
SMILESCN(CC1CCCO1)C(=O)COc1ccc(Cl)cc1
InChIInChI=1S/C14H18ClNO3/c1-16(9-13-3-2-8-18-13)14(17)10-19-12-6-4-11(15)5-7-12/h4-7,13H,2-3,8-10H2,1H3
InChIKeyUITCPMACTJIHAF-UHFFFAOYSA-N
MW283.75 g/mol
LogP2.36
Rot. Bonds5

About 2-(4-chlorophenoxy)-N-methyl-N-(oxolan-2-ylmethyl)acetamide

2-(4-chlorophenoxy)-N-methyl-N-(oxolan-2-ylmethyl)acetamide (PubChem CID 110733141) has the molecular formula C14H18ClNO3 and a molecular weight of 283.75 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-methyl-N-(oxolan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-methyl-N-(oxolan-2-ylmethyl)acetamide
PubChem CID110733141
Molecular FormulaC14H18ClNO3
Molecular Weight283.75 g/mol
Exact Mass283.10
IUPAC Name2-(4-chlorophenoxy)-N-methyl-N-(oxolan-2-ylmethyl)acetamide
SMILESCN(CC1CCCO1)C(=O)COc1ccc(Cl)cc1
InChIInChI=1S/C14H18ClNO3/c1-16(9-13-3-2-8-18-13)14(17)10-19-12-6-4-11(15)5-7-12/h4-7,13H,2-3,8-10H2,1H3
InChIKeyUITCPMACTJIHAF-UHFFFAOYSA-N
XLogP2.36
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.75
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorophenoxy)-N-[(4-chlorophenyl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 40850277
2-[4-(aminomethyl)phenoxy]-N-methyl-N-(oxan-2-ylmethyl)acetamide
CID 61430922
N-[(4-chlorophenyl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]-2-(4-propan-2-ylphenoxy)acetamide
CID 42387343
2-(4-chloro-3-methylphenoxy)-N-[(4-chlorophenyl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 40871161
N-[(4-chlorophenyl)methyl]-2-(3,5-dimethylphenoxy)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 40784128
2-(4-bromophenoxy)-N-[(2,4-dichlorophenyl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 40871759
2-(4-cyanophenoxy)-N-ethyl-N-(oxolan-2-ylmethyl)acetamide
CID 61344785
2-(2-chlorophenyl)-N-methyl-N-(oxolan-2-ylmethyl)acetamide
CID 110733181
2-[butyl-[2-(4-chlorophenoxy)acetyl]amino]-N-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)acetamide
CID 42773375
N-methyl-N-(oxolan-2-ylmethyl)-4-prop-2-enoxybenzamide
CID 71934119
2-(4-chlorophenoxy)-N-cyclopropyl-N-methylacetamide
CID 60747870
methyl 4-[2-[[2-(4-chlorophenoxy)acetyl]-(oxolan-2-ylmethyl)amino]acetyl]-1-ethyl-3,5-dimethylpyrrole-2-carboxylate
CID 46130448

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-methyl-N-(oxolan-2-ylmethyl)acetamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-methyl-N-(oxolan-2-ylmethyl)acetamide (CID 110733141) is 2-(4-chlorophenoxy)-N-methyl-N-(oxolan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-methyl-N-(oxolan-2-ylmethyl)acetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-methyl-N-(oxolan-2-ylmethyl)acetamide is CN(CC1CCCO1)C(=O)COc1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-methyl-N-(oxolan-2-ylmethyl)acetamide?
The InChIKey is UITCPMACTJIHAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO3/c1-16(9-13-3-2-8-18-13)14(17)10-19-12-6-4-11(15)5-7-12/h4-7,13H,2-3,8-10H2,1H3.
What are the key properties of 2-(4-chlorophenoxy)-N-methyl-N-(oxolan-2-ylmethyl)acetamide?
2-(4-chlorophenoxy)-N-methyl-N-(oxolan-2-ylmethyl)acetamide has a molecular weight of 283.75 g/mol, XLogP of 2.36, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-methyl-N-(oxolan-2-ylmethyl)acetamide is sourced from PubChem (CID 110733141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).