3-(3-chlorophenoxy)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]propanamide

C15H20ClNO4 — CID 107301836

IUPAC3-(3-chlorophenoxy)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]propanamide
SMILESCC1OCCC1(O)CNC(=O)CCOc1cccc(Cl)c1
InChIInChI=1S/C15H20ClNO4/c1-11-15(19,6-8-20-11)10-17-14(18)5-7-21-13-4-2-3-12(16)9-13/h2-4,9,11,19H,5-8,10H2,1H3,(H,17,18)
InChIKeyUGZCWTFJWQVWQX-UHFFFAOYSA-N
MW313.78 g/mol
LogP1.76
Rot. Bonds6

About 3-(3-chlorophenoxy)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]propanamide

3-(3-chlorophenoxy)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]propanamide (PubChem CID 107301836) has the molecular formula C15H20ClNO4 and a molecular weight of 313.78 g/mol. Its IUPAC name is 3-(3-chlorophenoxy)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]propanamide.

Molecular Properties

Compound Name3-(3-chlorophenoxy)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]propanamide
PubChem CID107301836
Molecular FormulaC15H20ClNO4
Molecular Weight313.78 g/mol
Exact Mass313.11
IUPAC Name3-(3-chlorophenoxy)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]propanamide
SMILESCC1OCCC1(O)CNC(=O)CCOc1cccc(Cl)c1
InChIInChI=1S/C15H20ClNO4/c1-11-15(19,6-8-20-11)10-17-14(18)5-7-21-13-4-2-3-12(16)9-13/h2-4,9,11,19H,5-8,10H2,1H3,(H,17,18)
InChIKeyUGZCWTFJWQVWQX-UHFFFAOYSA-N
XLogP1.76
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.78
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-3-(4-methylphenoxy)propanamide
CID 107302209
3-chloro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]propanamide
CID 106100304
3-(3-chlorophenoxy)-N-[(1-morpholin-4-ylcyclohexyl)methyl]propanamide
CID 55666927
3-(3-chlorophenoxy)-N-(3-hydroxypropyl)propanamide
CID 43428089
2-(2-chloro-5-methylphenoxy)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]acetamide
CID 107301810
N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-2-(4-methoxyphenyl)acetamide
CID 107301847
N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-3-(methylamino)propanamide
CID 106101711
3-(3-chlorophenoxy)-N-(2,3-dihydroxypropyl)propanamide
CID 66177946
3-(3-chlorophenoxy)-N-(2-methylsulfonylethyl)propanamide
CID 51091552
3-(3-chlorophenoxy)-N-(5-methyl-2-pyridinyl)propanamide
CID 47325752
methyl 3-(3-chlorophenoxy)propanoate
CID 28940074
1-[[3-(3-bromophenoxy)propanoylamino]methyl]cyclopropane-1-carboxylic acid
CID 115450040

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenoxy)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]propanamide?
The IUPAC name of 3-(3-chlorophenoxy)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]propanamide (CID 107301836) is 3-(3-chlorophenoxy)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]propanamide.
What is the SMILES notation for 3-(3-chlorophenoxy)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]propanamide?
The canonical SMILES for 3-(3-chlorophenoxy)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]propanamide is CC1OCCC1(O)CNC(=O)CCOc1cccc(Cl)c1.
What is the InChIKey of 3-(3-chlorophenoxy)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]propanamide?
The InChIKey is UGZCWTFJWQVWQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO4/c1-11-15(19,6-8-20-11)10-17-14(18)5-7-21-13-4-2-3-12(16)9-13/h2-4,9,11,19H,5-8,10H2,1H3,(H,17,18).
What are the key properties of 3-(3-chlorophenoxy)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]propanamide?
3-(3-chlorophenoxy)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]propanamide has a molecular weight of 313.78 g/mol, XLogP of 1.76, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenoxy)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]propanamide is sourced from PubChem (CID 107301836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).