2-(1-hydroxycyclopentyl)-N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)acetamide

C17H25NO3 — CID 75386664

IUPAC2-(1-hydroxycyclopentyl)-N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)acetamide
SMILESCc1cc(O)c(C(C)C)cc1NC(=O)CC1(O)CCCC1
InChIInChI=1S/C17H25NO3/c1-11(2)13-9-14(12(3)8-15(13)19)18-16(20)10-17(21)6-4-5-7-17/h8-9,11,19,21H,4-7,10H2,1-3H3,(H,18,20)
InChIKeyXYNSGJOCBIBUNK-UHFFFAOYSA-N
MW291.39 g/mol
LogP3.46
Rot. Bonds4

About 2-(1-hydroxycyclopentyl)-N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)acetamide

2-(1-hydroxycyclopentyl)-N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)acetamide (PubChem CID 75386664) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is 2-(1-hydroxycyclopentyl)-N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)acetamide.

Molecular Properties

Compound Name2-(1-hydroxycyclopentyl)-N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)acetamide
PubChem CID75386664
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Name2-(1-hydroxycyclopentyl)-N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)acetamide
SMILESCc1cc(O)c(C(C)C)cc1NC(=O)CC1(O)CCCC1
InChIInChI=1S/C17H25NO3/c1-11(2)13-9-14(12(3)8-15(13)19)18-16(20)10-17(21)6-4-5-7-17/h8-9,11,19,21H,4-7,10H2,1-3H3,(H,18,20)
InChIKeyXYNSGJOCBIBUNK-UHFFFAOYSA-N
XLogP3.46
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 53.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)propanamide
CID 2223120
2-(1-hydroxycyclopentyl)-N-(2-hydroxy-4-methylphenyl)acetamide
CID 111430326
2-(1-hydroxycyclopentyl)-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 111720133
2-(1-hydroxycyclohexyl)-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 111720134
N-[2,6-di(propan-2-yl)phenyl]-2-(1-hydroxycyclopentyl)acetamide
CID 111432461
2-(1-hydroxycyclopentyl)-N-(2-hydroxyphenyl)acetamide
CID 111430337
1,3-bis(4-hydroxy-2-methyl-5-propan-2-ylphenyl)thiourea
CID 3757180
2-[1-(aminomethyl)cyclohexyl]-N-(4-hydroxy-2,5-dimethylphenyl)acetamide
CID 106954350
2-(1-hydroxycyclopentyl)-N-(2-methylsulfanylphenyl)acetamide
CID 111536466
N-[5-[[2-(1-hydroxycyclopentyl)acetyl]amino]-2-methylphenyl]-2,2-dimethylpropanamide
CID 111538466
5-methyl-4-(methylamino)-2-propan-2-ylphenol
CID 82266002
4-(hydroxyamino)-5-methyl-2-propan-2-ylphenol
CID 51003755

Frequently Asked Questions

What is the IUPAC name of 2-(1-hydroxycyclopentyl)-N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)acetamide?
The IUPAC name of 2-(1-hydroxycyclopentyl)-N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)acetamide (CID 75386664) is 2-(1-hydroxycyclopentyl)-N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)acetamide.
What is the SMILES notation for 2-(1-hydroxycyclopentyl)-N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)acetamide?
The canonical SMILES for 2-(1-hydroxycyclopentyl)-N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)acetamide is Cc1cc(O)c(C(C)C)cc1NC(=O)CC1(O)CCCC1.
What is the InChIKey of 2-(1-hydroxycyclopentyl)-N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)acetamide?
The InChIKey is XYNSGJOCBIBUNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c1-11(2)13-9-14(12(3)8-15(13)19)18-16(20)10-17(21)6-4-5-7-17/h8-9,11,19,21H,4-7,10H2,1-3H3,(H,18,20).
What are the key properties of 2-(1-hydroxycyclopentyl)-N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)acetamide?
2-(1-hydroxycyclopentyl)-N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)acetamide has a molecular weight of 291.39 g/mol, XLogP of 3.46, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxycyclopentyl)-N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 75386664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).