2-hydroxy-N-[3-(2-methylprop-2-enoxy)phenyl]cyclopentane-1-carboxamide

C16H21NO3 — CID 110015626

IUPAC2-hydroxy-N-[3-(2-methylprop-2-enoxy)phenyl]cyclopentane-1-carboxamide
SMILESC=C(C)COc1cccc(NC(=O)C2CCCC2O)c1
InChIInChI=1S/C16H21NO3/c1-11(2)10-20-13-6-3-5-12(9-13)17-16(19)14-7-4-8-15(14)18/h3,5-6,9,14-15,18H,1,4,7-8,10H2,2H3,(H,17,19)
InChIKeyBSILCXCHJOTTCL-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.74
Rot. Bonds5

About 2-hydroxy-N-[3-(2-methylprop-2-enoxy)phenyl]cyclopentane-1-carboxamide

2-hydroxy-N-[3-(2-methylprop-2-enoxy)phenyl]cyclopentane-1-carboxamide (PubChem CID 110015626) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is 2-hydroxy-N-[3-(2-methylprop-2-enoxy)phenyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name2-hydroxy-N-[3-(2-methylprop-2-enoxy)phenyl]cyclopentane-1-carboxamide
PubChem CID110015626
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC Name2-hydroxy-N-[3-(2-methylprop-2-enoxy)phenyl]cyclopentane-1-carboxamide
SMILESC=C(C)COc1cccc(NC(=O)C2CCCC2O)c1
InChIInChI=1S/C16H21NO3/c1-11(2)10-20-13-6-3-5-12(9-13)17-16(19)14-7-4-8-15(14)18/h3,5-6,9,14-15,18H,1,4,7-8,10H2,2H3,(H,17,19)
InChIKeyBSILCXCHJOTTCL-UHFFFAOYSA-N
XLogP2.74
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[[3-(2-methylprop-2-enoxy)phenyl]carbamothioyl]cyclopropanecarboxamide
CID 17122582
N-(3-acetylphenyl)-2-hydroxycyclopentane-1-carboxamide
CID 110013625
1-hydroxy-N-[3-(2-methylprop-2-enoxy)phenyl]cyclopentane-1-carboxamide
CID 110929038
2-amino-N-[3-(2-amino-2-oxoethoxy)phenyl]cyclohexane-1-carboxamide
CID 64824522
trans-(1R,2R)-2-[(3-ethoxyphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 41228503
1-(3-chlorophenyl)-3-[3-(2-methylprop-2-enoxy)phenyl]urea
CID 17122466
2-amino-N-[3-(2-methoxyethoxy)phenyl]cyclopentane-1-carboxamide;hydrochloride
CID 119723449
(1S,5R)-N-[3-(2-methylprop-2-enoxy)phenyl]-10-oxo-3,9-diazabicyclo[3.3.2]decane-3-carboxamide
CID 74239213
2-cyano-N-[3-(2-methylprop-2-enoxy)phenyl]acetamide
CID 168520883
cis-(1S,2R)-2-[[3-(2-methoxyethoxy)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 41385907
methyl 2-[3-(cyclopropanecarbonylamino)phenoxy]acetate
CID 47170141
2-[4-(2-methylprop-2-enoxy)anilino]-N-[3-(2-methylprop-2-enoxy)phenyl]acetamide
CID 54824411

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-[3-(2-methylprop-2-enoxy)phenyl]cyclopentane-1-carboxamide?
The IUPAC name of 2-hydroxy-N-[3-(2-methylprop-2-enoxy)phenyl]cyclopentane-1-carboxamide (CID 110015626) is 2-hydroxy-N-[3-(2-methylprop-2-enoxy)phenyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 2-hydroxy-N-[3-(2-methylprop-2-enoxy)phenyl]cyclopentane-1-carboxamide?
The canonical SMILES for 2-hydroxy-N-[3-(2-methylprop-2-enoxy)phenyl]cyclopentane-1-carboxamide is C=C(C)COc1cccc(NC(=O)C2CCCC2O)c1.
What is the InChIKey of 2-hydroxy-N-[3-(2-methylprop-2-enoxy)phenyl]cyclopentane-1-carboxamide?
The InChIKey is BSILCXCHJOTTCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3/c1-11(2)10-20-13-6-3-5-12(9-13)17-16(19)14-7-4-8-15(14)18/h3,5-6,9,14-15,18H,1,4,7-8,10H2,2H3,(H,17,19).
What are the key properties of 2-hydroxy-N-[3-(2-methylprop-2-enoxy)phenyl]cyclopentane-1-carboxamide?
2-hydroxy-N-[3-(2-methylprop-2-enoxy)phenyl]cyclopentane-1-carboxamide has a molecular weight of 275.35 g/mol, XLogP of 2.74, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-[3-(2-methylprop-2-enoxy)phenyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 110015626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).