N-[(3-hydroxycyclopentyl)methyl]-3-(4-methylphenoxy)propanamide

C16H23NO3 — CID 103280339

IUPACN-[(3-hydroxycyclopentyl)methyl]-3-(4-methylphenoxy)propanamide
SMILESCc1ccc(OCCC(=O)NCC2CCC(O)C2)cc1
InChIInChI=1S/C16H23NO3/c1-12-2-6-15(7-3-12)20-9-8-16(19)17-11-13-4-5-14(18)10-13/h2-3,6-7,13-14,18H,4-5,8-11H2,1H3,(H,17,19)
InChIKeySOXJLBHWQRKKDI-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.04
Rot. Bonds6

About N-[(3-hydroxycyclopentyl)methyl]-3-(4-methylphenoxy)propanamide

N-[(3-hydroxycyclopentyl)methyl]-3-(4-methylphenoxy)propanamide (PubChem CID 103280339) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is N-[(3-hydroxycyclopentyl)methyl]-3-(4-methylphenoxy)propanamide.

Molecular Properties

Compound NameN-[(3-hydroxycyclopentyl)methyl]-3-(4-methylphenoxy)propanamide
PubChem CID103280339
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC NameN-[(3-hydroxycyclopentyl)methyl]-3-(4-methylphenoxy)propanamide
SMILESCc1ccc(OCCC(=O)NCC2CCC(O)C2)cc1
InChIInChI=1S/C16H23NO3/c1-12-2-6-15(7-3-12)20-9-8-16(19)17-11-13-4-5-14(18)10-13/h2-3,6-7,13-14,18H,4-5,8-11H2,1H3,(H,17,19)
InChIKeySOXJLBHWQRKKDI-UHFFFAOYSA-N
XLogP2.04
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-bromophenoxy)-N-[(3-hydroxycyclopentyl)methyl]propanamide
CID 103279901
3-(2,6-dimethylphenoxy)-N-[(3-hydroxycyclopentyl)methyl]propanamide
CID 103279864
3-(3,5-dimethylphenoxy)-N-[(3-hydroxycyclobutyl)methyl]propanamide
CID 66006892
3-(4-aminophenoxy)-N-[(3-methylcyclopentyl)methyl]propanamide
CID 107411017
3-(2-fluorophenoxy)-N-[(3-hydroxycyclopentyl)methyl]propanamide
CID 103280030
N-(cyclopropylmethyl)-2-[4-(4-methylphenyl)phenoxy]acetamide
CID 112810655
N-(cyclopropylmethyl)-2-[4-(4-methylphenoxy)phenoxy]acetamide
CID 24667225
1-[2-(4-chlorophenoxy)ethyl]-3-[[(1S,3R)-3-hydroxycyclopentyl]methyl]urea
CID 99829031
1-[2-(3,5-dimethylphenoxy)ethyl]-3-[[(1S,3R)-3-hydroxycyclopentyl]methyl]urea
CID 99830440
N-[(3-hydroxycyclopentyl)methyl]-4-oxopentanamide
CID 106135905
N-(2-ethylbutyl)-3-(4-methylphenoxy)propanamide
CID 115612574
N-[(1S,2S)-2-hydroxycyclohexyl]-3-(4-methylphenoxy)propanamide
CID 104956597

Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxycyclopentyl)methyl]-3-(4-methylphenoxy)propanamide?
The IUPAC name of N-[(3-hydroxycyclopentyl)methyl]-3-(4-methylphenoxy)propanamide (CID 103280339) is N-[(3-hydroxycyclopentyl)methyl]-3-(4-methylphenoxy)propanamide.
What is the SMILES notation for N-[(3-hydroxycyclopentyl)methyl]-3-(4-methylphenoxy)propanamide?
The canonical SMILES for N-[(3-hydroxycyclopentyl)methyl]-3-(4-methylphenoxy)propanamide is Cc1ccc(OCCC(=O)NCC2CCC(O)C2)cc1.
What is the InChIKey of N-[(3-hydroxycyclopentyl)methyl]-3-(4-methylphenoxy)propanamide?
The InChIKey is SOXJLBHWQRKKDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-12-2-6-15(7-3-12)20-9-8-16(19)17-11-13-4-5-14(18)10-13/h2-3,6-7,13-14,18H,4-5,8-11H2,1H3,(H,17,19).
What are the key properties of N-[(3-hydroxycyclopentyl)methyl]-3-(4-methylphenoxy)propanamide?
N-[(3-hydroxycyclopentyl)methyl]-3-(4-methylphenoxy)propanamide has a molecular weight of 277.36 g/mol, XLogP of 2.04, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxycyclopentyl)methyl]-3-(4-methylphenoxy)propanamide is sourced from PubChem (CID 103280339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).