N-[(2-hydroxycyclopentyl)methyl]-2-[4-(2-methylpropoxy)phenyl]acetamide

C18H27NO3 — CID 111471301

IUPACN-[(2-hydroxycyclopentyl)methyl]-2-[4-(2-methylpropoxy)phenyl]acetamide
SMILESCC(C)COc1ccc(CC(=O)NCC2CCCC2O)cc1
InChIInChI=1S/C18H27NO3/c1-13(2)12-22-16-8-6-14(7-9-16)10-18(21)19-11-15-4-3-5-17(15)20/h6-9,13,15,17,20H,3-5,10-12H2,1-2H3,(H,19,21)
InChIKeyYDWQYTHPYGFRIC-UHFFFAOYSA-N
MW305.42 g/mol
LogP2.54
Rot. Bonds7

About N-[(2-hydroxycyclopentyl)methyl]-2-[4-(2-methylpropoxy)phenyl]acetamide

N-[(2-hydroxycyclopentyl)methyl]-2-[4-(2-methylpropoxy)phenyl]acetamide (PubChem CID 111471301) has the molecular formula C18H27NO3 and a molecular weight of 305.42 g/mol. Its IUPAC name is N-[(2-hydroxycyclopentyl)methyl]-2-[4-(2-methylpropoxy)phenyl]acetamide.

Molecular Properties

Compound NameN-[(2-hydroxycyclopentyl)methyl]-2-[4-(2-methylpropoxy)phenyl]acetamide
PubChem CID111471301
Molecular FormulaC18H27NO3
Molecular Weight305.42 g/mol
Exact Mass305.20
IUPAC NameN-[(2-hydroxycyclopentyl)methyl]-2-[4-(2-methylpropoxy)phenyl]acetamide
SMILESCC(C)COc1ccc(CC(=O)NCC2CCCC2O)cc1
InChIInChI=1S/C18H27NO3/c1-13(2)12-22-16-8-6-14(7-9-16)10-18(21)19-11-15-4-3-5-17(15)20/h6-9,13,15,17,20H,3-5,10-12H2,1-2H3,(H,19,21)
InChIKeyYDWQYTHPYGFRIC-UHFFFAOYSA-N
XLogP2.54
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopropyl-2-[[2-[4-(2-methylpropoxy)phenyl]acetyl]amino]acetic acid
CID 119213176
N-[4-[2-[(2-hydroxycyclopentyl)methylamino]-2-oxoethyl]phenyl]cyclopropanecarboxamide
CID 111471182
N-(3-aminobutyl)-2-[4-(2-methylpropoxy)phenyl]acetamide
CID 119496509
trans-(1S,2R)-2-[[[4-(2-methylpropoxy)benzoyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 108732270
N-(2-hydroxy-2,3-dimethylbutyl)-2-[4-(2-methylpropoxy)phenyl]acetamide
CID 111484329
2-(4-bromophenoxy)-N-[(2-hydroxycyclohexyl)methyl]acetamide
CID 64913623
N-[[2-(bromomethyl)cyclohexyl]methyl]-2-(4-methoxyphenyl)acetamide
CID 114317378
N-[[(1S,9aS)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-2-(4-ethoxyphenyl)acetamide
CID 100819568
N-[2-(4-aminophenyl)ethyl]-2-[4-(2-methylpropoxy)phenyl]acetamide;hydrochloride
CID 119548271
2-(4-ethoxyphenyl)-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride
CID 119509770
1-[4-(ethylaminomethyl)piperidin-1-yl]-2-[4-(2-methylpropoxy)phenyl]ethanone
CID 119645678
N-(1-amino-2-cyclopropylpropan-2-yl)-2-[4-(2-methylpropoxy)phenyl]acetamide;hydrochloride
CID 119573576

Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxycyclopentyl)methyl]-2-[4-(2-methylpropoxy)phenyl]acetamide?
The IUPAC name of N-[(2-hydroxycyclopentyl)methyl]-2-[4-(2-methylpropoxy)phenyl]acetamide (CID 111471301) is N-[(2-hydroxycyclopentyl)methyl]-2-[4-(2-methylpropoxy)phenyl]acetamide.
What is the SMILES notation for N-[(2-hydroxycyclopentyl)methyl]-2-[4-(2-methylpropoxy)phenyl]acetamide?
The canonical SMILES for N-[(2-hydroxycyclopentyl)methyl]-2-[4-(2-methylpropoxy)phenyl]acetamide is CC(C)COc1ccc(CC(=O)NCC2CCCC2O)cc1.
What is the InChIKey of N-[(2-hydroxycyclopentyl)methyl]-2-[4-(2-methylpropoxy)phenyl]acetamide?
The InChIKey is YDWQYTHPYGFRIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO3/c1-13(2)12-22-16-8-6-14(7-9-16)10-18(21)19-11-15-4-3-5-17(15)20/h6-9,13,15,17,20H,3-5,10-12H2,1-2H3,(H,19,21).
What are the key properties of N-[(2-hydroxycyclopentyl)methyl]-2-[4-(2-methylpropoxy)phenyl]acetamide?
N-[(2-hydroxycyclopentyl)methyl]-2-[4-(2-methylpropoxy)phenyl]acetamide has a molecular weight of 305.42 g/mol, XLogP of 2.54, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydroxycyclopentyl)methyl]-2-[4-(2-methylpropoxy)phenyl]acetamide is sourced from PubChem (CID 111471301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).