N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-3-(4-methylphenoxy)propanamide

C16H23NO4 — CID 107302209

IUPACN-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-3-(4-methylphenoxy)propanamide
SMILESCc1ccc(OCCC(=O)NCC2(O)CCOC2C)cc1
InChIInChI=1S/C16H23NO4/c1-12-3-5-14(6-4-12)21-9-7-15(18)17-11-16(19)8-10-20-13(16)2/h3-6,13,19H,7-11H2,1-2H3,(H,17,18)
InChIKeyREFWZMBEPYDQKR-UHFFFAOYSA-N
MW293.36 g/mol
LogP1.42
Rot. Bonds6

About N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-3-(4-methylphenoxy)propanamide

N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-3-(4-methylphenoxy)propanamide (PubChem CID 107302209) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-3-(4-methylphenoxy)propanamide.

Molecular Properties

Compound NameN-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-3-(4-methylphenoxy)propanamide
PubChem CID107302209
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC NameN-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-3-(4-methylphenoxy)propanamide
SMILESCc1ccc(OCCC(=O)NCC2(O)CCOC2C)cc1
InChIInChI=1S/C16H23NO4/c1-12-3-5-14(6-4-12)21-9-7-15(18)17-11-16(19)8-10-20-13(16)2/h3-6,13,19H,7-11H2,1-2H3,(H,17,18)
InChIKeyREFWZMBEPYDQKR-UHFFFAOYSA-N
XLogP1.42
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-chlorophenoxy)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]propanamide
CID 107301836
N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-4-methylbenzamide
CID 107302098
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
2-(2-chloro-5-methylphenoxy)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]acetamide
CID 107301810
3-chloro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]propanamide
CID 106100304
3-[[[2-hydroxy-3-(4-methylphenoxy)propyl]amino]methyl]-2-methyloxolan-3-ol
CID 106101190
4-ethoxy-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]butanamide
CID 107302079
3-(4-aminophenyl)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]propanamide
CID 106099130
2-(4-aminophenyl)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]acetamide
CID 106099096
2-(4-fluorophenyl)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]acetamide
CID 107301998
N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]acetamide
CID 107302191

Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-3-(4-methylphenoxy)propanamide?
The IUPAC name of N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-3-(4-methylphenoxy)propanamide (CID 107302209) is N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-3-(4-methylphenoxy)propanamide.
What is the SMILES notation for N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-3-(4-methylphenoxy)propanamide?
The canonical SMILES for N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-3-(4-methylphenoxy)propanamide is Cc1ccc(OCCC(=O)NCC2(O)CCOC2C)cc1.
What is the InChIKey of N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-3-(4-methylphenoxy)propanamide?
The InChIKey is REFWZMBEPYDQKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO4/c1-12-3-5-14(6-4-12)21-9-7-15(18)17-11-16(19)8-10-20-13(16)2/h3-6,13,19H,7-11H2,1-2H3,(H,17,18).
What are the key properties of N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-3-(4-methylphenoxy)propanamide?
N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-3-(4-methylphenoxy)propanamide has a molecular weight of 293.36 g/mol, XLogP of 1.42, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-3-(4-methylphenoxy)propanamide is sourced from PubChem (CID 107302209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).