N-(4-ethoxy-3-methylphenyl)-2-(1-hydroxycyclopentyl)acetamide

C16H23NO3 — CID 111537291

IUPACN-(4-ethoxy-3-methylphenyl)-2-(1-hydroxycyclopentyl)acetamide
SMILESCCOc1ccc(NC(=O)CC2(O)CCCC2)cc1C
InChIInChI=1S/C16H23NO3/c1-3-20-14-7-6-13(10-12(14)2)17-15(18)11-16(19)8-4-5-9-16/h6-7,10,19H,3-5,8-9,11H2,1-2H3,(H,17,18)
InChIKeyZNDOHCSXBCDNQN-UHFFFAOYSA-N
MW277.36 g/mol
LogP3.03
Rot. Bonds5

About N-(4-ethoxy-3-methylphenyl)-2-(1-hydroxycyclopentyl)acetamide

N-(4-ethoxy-3-methylphenyl)-2-(1-hydroxycyclopentyl)acetamide (PubChem CID 111537291) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is N-(4-ethoxy-3-methylphenyl)-2-(1-hydroxycyclopentyl)acetamide.

Molecular Properties

Compound NameN-(4-ethoxy-3-methylphenyl)-2-(1-hydroxycyclopentyl)acetamide
PubChem CID111537291
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC NameN-(4-ethoxy-3-methylphenyl)-2-(1-hydroxycyclopentyl)acetamide
SMILESCCOc1ccc(NC(=O)CC2(O)CCCC2)cc1C
InChIInChI=1S/C16H23NO3/c1-3-20-14-7-6-13(10-12(14)2)17-15(18)11-16(19)8-4-5-9-16/h6-7,10,19H,3-5,8-9,11H2,1-2H3,(H,17,18)
InChIKeyZNDOHCSXBCDNQN-UHFFFAOYSA-N
XLogP3.03
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 ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-hydroxycyclopentyl)-N-[3-methyl-4-(2,2,2-trifluoroethoxy)phenyl]acetamide
CID 111539254
N-(2-ethoxyphenyl)-2-(1-hydroxycyclopentyl)acetamide
CID 111432228
N-(4-ethoxy-3-methylphenyl)-1-(3-methylphenyl)cyclopentane-1-carboxamide
CID 100660821
1-(4-ethoxy-3-methylphenyl)-3-propan-2-ylurea
CID 47417327
ethyl 2-(4-ethoxy-3-methylanilino)-2-oxoacetate
CID 115141822
1-[4-[(1-hydroxycyclopentyl)methoxy]-3-methylphenyl]ethanone
CID 112548755
2,2,2-trichloro-N-(4-ethoxy-3-methylphenyl)acetamide
CID 100689633
N-[5-[[2-(1-hydroxycyclopentyl)acetyl]amino]-2-methylphenyl]-2,2-dimethylpropanamide
CID 111538466
N-(3-methyl-4-propoxyphenyl)propanamide
CID 130460979
1-ethoxy-N-(4-ethoxy-3-methylphenyl)-3-methylcyclohexane-1-carboxamide
CID 133246838
cis-(1R,3R)-1-ethoxy-N-(4-ethoxy-3-methylphenyl)-3-methylcyclohexane-1-carboxamide
CID 100733208
1-ethoxy-N-(3-methyl-4-phenylmethoxyphenyl)cycloheptane-1-carboxamide
CID 100731535

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxy-3-methylphenyl)-2-(1-hydroxycyclopentyl)acetamide?
The IUPAC name of N-(4-ethoxy-3-methylphenyl)-2-(1-hydroxycyclopentyl)acetamide (CID 111537291) is N-(4-ethoxy-3-methylphenyl)-2-(1-hydroxycyclopentyl)acetamide.
What is the SMILES notation for N-(4-ethoxy-3-methylphenyl)-2-(1-hydroxycyclopentyl)acetamide?
The canonical SMILES for N-(4-ethoxy-3-methylphenyl)-2-(1-hydroxycyclopentyl)acetamide is CCOc1ccc(NC(=O)CC2(O)CCCC2)cc1C.
What is the InChIKey of N-(4-ethoxy-3-methylphenyl)-2-(1-hydroxycyclopentyl)acetamide?
The InChIKey is ZNDOHCSXBCDNQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-3-20-14-7-6-13(10-12(14)2)17-15(18)11-16(19)8-4-5-9-16/h6-7,10,19H,3-5,8-9,11H2,1-2H3,(H,17,18).
What are the key properties of N-(4-ethoxy-3-methylphenyl)-2-(1-hydroxycyclopentyl)acetamide?
N-(4-ethoxy-3-methylphenyl)-2-(1-hydroxycyclopentyl)acetamide has a molecular weight of 277.36 g/mol, XLogP of 3.03, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxy-3-methylphenyl)-2-(1-hydroxycyclopentyl)acetamide is sourced from PubChem (CID 111537291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).