2-hydroxy-N-[(4-propan-2-yloxyphenyl)methyl]cyclopentane-1-carboxamide

C16H23NO3 — CID 110013989

IUPAC2-hydroxy-N-[(4-propan-2-yloxyphenyl)methyl]cyclopentane-1-carboxamide
SMILESCC(C)Oc1ccc(CNC(=O)C2CCCC2O)cc1
InChIInChI=1S/C16H23NO3/c1-11(2)20-13-8-6-12(7-9-13)10-17-16(19)14-4-3-5-15(14)18/h6-9,11,14-15,18H,3-5,10H2,1-2H3,(H,17,19)
InChIKeyKQLNFIQEJMHUQP-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.25
Rot. Bonds5

About 2-hydroxy-N-[(4-propan-2-yloxyphenyl)methyl]cyclopentane-1-carboxamide

2-hydroxy-N-[(4-propan-2-yloxyphenyl)methyl]cyclopentane-1-carboxamide (PubChem CID 110013989) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is 2-hydroxy-N-[(4-propan-2-yloxyphenyl)methyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name2-hydroxy-N-[(4-propan-2-yloxyphenyl)methyl]cyclopentane-1-carboxamide
PubChem CID110013989
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name2-hydroxy-N-[(4-propan-2-yloxyphenyl)methyl]cyclopentane-1-carboxamide
SMILESCC(C)Oc1ccc(CNC(=O)C2CCCC2O)cc1
InChIInChI=1S/C16H23NO3/c1-11(2)20-13-8-6-12(7-9-13)10-17-16(19)14-4-3-5-15(14)18/h6-9,11,14-15,18H,3-5,10H2,1-2H3,(H,17,19)
InChIKeyKQLNFIQEJMHUQP-UHFFFAOYSA-N
XLogP2.25
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

cis-(1R,2S)-2-[(4-propan-2-yloxyphenyl)methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 125132224
N-[(1R,2S)-2-[(4-propan-2-yloxyphenyl)methylcarbamoyl]cyclopentyl]pyridine-4-carboxamide
CID 91912948
N-[[4-(ethoxymethyl)phenyl]methyl]-2-hydroxycyclopentane-1-carboxamide
CID 110014006
N-[(4-propan-2-yloxyphenyl)methyl]piperidine-4-carboxamide;hydrochloride
CID 119280596
2-amino-N-[[4-(difluoromethoxy)phenyl]methyl]cyclopentane-1-carboxamide
CID 64822466
N'-cyclopentyl-N-[(4-propan-2-yloxyphenyl)methyl]oxamide
CID 125144930
1-propan-2-yl-3-[(4-propan-2-yloxyphenyl)methyl]urea
CID 47216205
N-[[(2S)-oxolan-2-yl]methyl]-N'-[(4-propan-2-yloxyphenyl)methyl]oxamide
CID 125144932
2-amino-N-[(4-propan-2-yloxyphenyl)methyl]propanamide
CID 115152374
1-(4-fluorophenyl)-2-oxo-N-[(4-propan-2-yloxyphenyl)methyl]pyrrolidine-3-carboxamide
CID 50797645
N,N'-bis[(4-propan-2-yloxyphenyl)methyl]decanediamide
CID 43911135
1-(2-methylpropyl)-3-[(4-propan-2-yloxyphenyl)methyl]urea
CID 47024767

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-[(4-propan-2-yloxyphenyl)methyl]cyclopentane-1-carboxamide?
The IUPAC name of 2-hydroxy-N-[(4-propan-2-yloxyphenyl)methyl]cyclopentane-1-carboxamide (CID 110013989) is 2-hydroxy-N-[(4-propan-2-yloxyphenyl)methyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 2-hydroxy-N-[(4-propan-2-yloxyphenyl)methyl]cyclopentane-1-carboxamide?
The canonical SMILES for 2-hydroxy-N-[(4-propan-2-yloxyphenyl)methyl]cyclopentane-1-carboxamide is CC(C)Oc1ccc(CNC(=O)C2CCCC2O)cc1.
What is the InChIKey of 2-hydroxy-N-[(4-propan-2-yloxyphenyl)methyl]cyclopentane-1-carboxamide?
The InChIKey is KQLNFIQEJMHUQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-11(2)20-13-8-6-12(7-9-13)10-17-16(19)14-4-3-5-15(14)18/h6-9,11,14-15,18H,3-5,10H2,1-2H3,(H,17,19).
What are the key properties of 2-hydroxy-N-[(4-propan-2-yloxyphenyl)methyl]cyclopentane-1-carboxamide?
2-hydroxy-N-[(4-propan-2-yloxyphenyl)methyl]cyclopentane-1-carboxamide has a molecular weight of 277.36 g/mol, XLogP of 2.25, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-[(4-propan-2-yloxyphenyl)methyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 110013989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).