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

C16H23NO4 — CID 107301592

IUPACN-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-3-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(CCC(=O)NCC2(O)CCOC2C)cc1
InChIInChI=1S/C16H23NO4/c1-12-16(19,9-10-21-12)11-17-15(18)8-5-13-3-6-14(20-2)7-4-13/h3-4,6-7,12,19H,5,8-11H2,1-2H3,(H,17,18)
InChIKeyBOUYKLSNCYRKGL-UHFFFAOYSA-N
MW293.36 g/mol
LogP1.28
Rot. Bonds6

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

N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-3-(4-methoxyphenyl)propanamide (PubChem CID 107301592) 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-methoxyphenyl)propanamide.

Molecular Properties

Compound NameN-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-3-(4-methoxyphenyl)propanamide
PubChem CID107301592
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC NameN-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-3-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(CCC(=O)NCC2(O)CCOC2C)cc1
InChIInChI=1S/C16H23NO4/c1-12-16(19,9-10-21-12)11-17-15(18)8-5-13-3-6-14(20-2)7-4-13/h3-4,6-7,12,19H,5,8-11H2,1-2H3,(H,17,18)
InChIKeyBOUYKLSNCYRKGL-UHFFFAOYSA-N
XLogP1.28
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 ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-2-(4-methoxyphenyl)acetamide
CID 107301847
3-(4-aminophenyl)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]propanamide
CID 106099130
N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-3-(4-methylphenoxy)propanamide
CID 107302209
N-[(1-hydroxycycloheptyl)methyl]-3-(4-methoxyphenyl)propanamide
CID 111428672
N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-3-(methylamino)propanamide
CID 106101711
2-(4-fluorophenyl)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]acetamide
CID 107301998
N-[[1-(chloromethyl)cyclopentyl]methyl]-3-(4-methoxyphenyl)propanamide
CID 115363823
3-chloro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]propanamide
CID 106100304
N-[2-(1,3-dioxolan-2-yl)ethyl]-3-(4-methoxyphenyl)propanamide
CID 110369967
2-(3,4-dimethylphenyl)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]acetamide
CID 107301485
N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]-3-(4-methoxyphenyl)propanamide
CID 90535730
3-[[[3-(4-methoxyphenyl)cyclobutyl]amino]methyl]-2-methyloxolan-3-ol
CID 106100153

Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-3-(4-methoxyphenyl)propanamide?
The IUPAC name of N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-3-(4-methoxyphenyl)propanamide (CID 107301592) is N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-3-(4-methoxyphenyl)propanamide.
What is the SMILES notation for N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-3-(4-methoxyphenyl)propanamide?
The canonical SMILES for N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-3-(4-methoxyphenyl)propanamide is COc1ccc(CCC(=O)NCC2(O)CCOC2C)cc1.
What is the InChIKey of N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-3-(4-methoxyphenyl)propanamide?
The InChIKey is BOUYKLSNCYRKGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO4/c1-12-16(19,9-10-21-12)11-17-15(18)8-5-13-3-6-14(20-2)7-4-13/h3-4,6-7,12,19H,5,8-11H2,1-2H3,(H,17,18).
What are the key properties of N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-3-(4-methoxyphenyl)propanamide?
N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-3-(4-methoxyphenyl)propanamide has a molecular weight of 293.36 g/mol, XLogP of 1.28, 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-methoxyphenyl)propanamide is sourced from PubChem (CID 107301592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).