2-hydroxy-N-[1-(2-methoxyphenyl)-3-methylbutyl]cyclopentane-1-carboxamide

C18H27NO3 — CID 110016070

IUPAC2-hydroxy-N-[1-(2-methoxyphenyl)-3-methylbutyl]cyclopentane-1-carboxamide
SMILESCOc1ccccc1C(CC(C)C)NC(=O)C1CCCC1O
InChIInChI=1S/C18H27NO3/c1-12(2)11-15(13-7-4-5-10-17(13)22-3)19-18(21)14-8-6-9-16(14)20/h4-5,7,10,12,14-16,20H,6,8-9,11H2,1-3H3,(H,19,21)
InChIKeyISWSJIWYEANQBW-UHFFFAOYSA-N
MW305.42 g/mol
LogP3.06
Rot. Bonds6

About 2-hydroxy-N-[1-(2-methoxyphenyl)-3-methylbutyl]cyclopentane-1-carboxamide

2-hydroxy-N-[1-(2-methoxyphenyl)-3-methylbutyl]cyclopentane-1-carboxamide (PubChem CID 110016070) has the molecular formula C18H27NO3 and a molecular weight of 305.42 g/mol. Its IUPAC name is 2-hydroxy-N-[1-(2-methoxyphenyl)-3-methylbutyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name2-hydroxy-N-[1-(2-methoxyphenyl)-3-methylbutyl]cyclopentane-1-carboxamide
PubChem CID110016070
Molecular FormulaC18H27NO3
Molecular Weight305.42 g/mol
Exact Mass305.20
IUPAC Name2-hydroxy-N-[1-(2-methoxyphenyl)-3-methylbutyl]cyclopentane-1-carboxamide
SMILESCOc1ccccc1C(CC(C)C)NC(=O)C1CCCC1O
InChIInChI=1S/C18H27NO3/c1-12(2)11-15(13-7-4-5-10-17(13)22-3)19-18(21)14-8-6-9-16(14)20/h4-5,7,10,12,14-16,20H,6,8-9,11H2,1-3H3,(H,19,21)
InChIKeyISWSJIWYEANQBW-UHFFFAOYSA-N
XLogP3.06
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[1-(2-methoxyphenyl)-3-methylbutyl]carbamoyl]piperidine-4-carboxylic acid
CID 122004761
(2S)-2-amino-N-[1-(2-methoxyphenyl)-3-methylbutyl]propanamide
CID 119342540
N-[1-(2-methoxyphenyl)-3-methylbutyl]morpholine-2-carboxamide
CID 119816799
3-amino-N-[1-(2-methoxyphenyl)-3-methylbutyl]-2-methylbutanamide
CID 120502168
2-amino-N-[1-(2-methoxyphenyl)ethyl]cyclopentane-1-carboxamide;hydrochloride
CID 119683016
N-[1-(2-bromophenyl)propyl]-2-hydroxycyclopentane-1-carboxamide
CID 110016308
2-hydroxy-N-(2-methoxyphenyl)cyclopentane-1-carboxamide
CID 110013580
N-[1-(2-methoxyphenyl)-3-methylbutyl]-3-piperidin-3-ylbutanamide
CID 119816785
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(2-methoxyphenyl)-3-methylbutyl]acetamide;hydrochloride
CID 119816788
2-(aminomethyl)-N-[(1S)-1-(2-methoxyphenyl)ethyl]cyclohexane-1-carboxamide
CID 81390427
N-[3-methyl-1-[2-(2-methylpropoxy)phenyl]butyl]piperidine-4-carboxamide
CID 119342940
2-hydroxy-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]cyclopentane-1-carboxamide
CID 110015354

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-[1-(2-methoxyphenyl)-3-methylbutyl]cyclopentane-1-carboxamide?
The IUPAC name of 2-hydroxy-N-[1-(2-methoxyphenyl)-3-methylbutyl]cyclopentane-1-carboxamide (CID 110016070) is 2-hydroxy-N-[1-(2-methoxyphenyl)-3-methylbutyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 2-hydroxy-N-[1-(2-methoxyphenyl)-3-methylbutyl]cyclopentane-1-carboxamide?
The canonical SMILES for 2-hydroxy-N-[1-(2-methoxyphenyl)-3-methylbutyl]cyclopentane-1-carboxamide is COc1ccccc1C(CC(C)C)NC(=O)C1CCCC1O.
What is the InChIKey of 2-hydroxy-N-[1-(2-methoxyphenyl)-3-methylbutyl]cyclopentane-1-carboxamide?
The InChIKey is ISWSJIWYEANQBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO3/c1-12(2)11-15(13-7-4-5-10-17(13)22-3)19-18(21)14-8-6-9-16(14)20/h4-5,7,10,12,14-16,20H,6,8-9,11H2,1-3H3,(H,19,21).
What are the key properties of 2-hydroxy-N-[1-(2-methoxyphenyl)-3-methylbutyl]cyclopentane-1-carboxamide?
2-hydroxy-N-[1-(2-methoxyphenyl)-3-methylbutyl]cyclopentane-1-carboxamide has a molecular weight of 305.42 g/mol, XLogP of 3.06, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-[1-(2-methoxyphenyl)-3-methylbutyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 110016070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).