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

C16H21NO3 — CID 110929038

IUPAC1-hydroxy-N-[3-(2-methylprop-2-enoxy)phenyl]cyclopentane-1-carboxamide
SMILESC=C(C)COc1cccc(NC(=O)C2(O)CCCC2)c1
InChIInChI=1S/C16H21NO3/c1-12(2)11-20-14-7-5-6-13(10-14)17-15(18)16(19)8-3-4-9-16/h5-7,10,19H,1,3-4,8-9,11H2,2H3,(H,17,18)
InChIKeyPXVJUJZDSZHKID-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.89
Rot. Bonds5

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

1-hydroxy-N-[3-(2-methylprop-2-enoxy)phenyl]cyclopentane-1-carboxamide (PubChem CID 110929038) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is 1-hydroxy-N-[3-(2-methylprop-2-enoxy)phenyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-hydroxy-N-[3-(2-methylprop-2-enoxy)phenyl]cyclopentane-1-carboxamide
PubChem CID110929038
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC Name1-hydroxy-N-[3-(2-methylprop-2-enoxy)phenyl]cyclopentane-1-carboxamide
SMILESC=C(C)COc1cccc(NC(=O)C2(O)CCCC2)c1
InChIInChI=1S/C16H21NO3/c1-12(2)11-20-14-7-5-6-13(10-14)17-15(18)16(19)8-3-4-9-16/h5-7,10,19H,1,3-4,8-9,11H2,2H3,(H,17,18)
InChIKeyPXVJUJZDSZHKID-UHFFFAOYSA-N
XLogP2.89
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 ≤ 52.89
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

1-(3-chlorophenyl)-3-[3-(2-methylprop-2-enoxy)phenyl]urea
CID 17122466
2-hydroxy-N-[3-(2-methylprop-2-enoxy)phenyl]cyclopentane-1-carboxamide
CID 110015626
1-hydroxy-N-[3-(pyridin-3-ylmethoxy)phenyl]cyclopentane-1-carboxamide
CID 110899598
3-chloro-N-[3-(2-methylprop-2-enoxy)phenyl]benzamide
CID 17122474
N-[3-[(3-cyanophenyl)methoxy]phenyl]-1-hydroxycyclopentane-1-carboxamide
CID 110907346
2-cyano-N-[3-(2-methylprop-2-enoxy)phenyl]acetamide
CID 168520883
1-amino-N-[3-(2-amino-2-oxoethoxy)phenyl]cyclopentane-1-carboxamide
CID 60852261
2-[4-(2-methylprop-2-enoxy)anilino]-N-[3-(2-methylprop-2-enoxy)phenyl]acetamide
CID 54824411
methyl 4-[[3-(2-methylprop-2-enoxy)phenyl]carbamoyl]benzoate
CID 17178302
2-(3-chloroanilino)-N-[3-(2-methylprop-2-enoxy)phenyl]acetamide
CID 54809113
1-amino-N-[3-[2-(diethylamino)-2-oxoethoxy]phenyl]cyclohexane-1-carboxamide
CID 119284187
N-(3-methoxyphenyl)-2-[3-(2-methylprop-2-enoxy)anilino]acetamide
CID 54825899

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-N-[3-(2-methylprop-2-enoxy)phenyl]cyclopentane-1-carboxamide?
The IUPAC name of 1-hydroxy-N-[3-(2-methylprop-2-enoxy)phenyl]cyclopentane-1-carboxamide (CID 110929038) is 1-hydroxy-N-[3-(2-methylprop-2-enoxy)phenyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 1-hydroxy-N-[3-(2-methylprop-2-enoxy)phenyl]cyclopentane-1-carboxamide?
The canonical SMILES for 1-hydroxy-N-[3-(2-methylprop-2-enoxy)phenyl]cyclopentane-1-carboxamide is C=C(C)COc1cccc(NC(=O)C2(O)CCCC2)c1.
What is the InChIKey of 1-hydroxy-N-[3-(2-methylprop-2-enoxy)phenyl]cyclopentane-1-carboxamide?
The InChIKey is PXVJUJZDSZHKID-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3/c1-12(2)11-20-14-7-5-6-13(10-14)17-15(18)16(19)8-3-4-9-16/h5-7,10,19H,1,3-4,8-9,11H2,2H3,(H,17,18).
What are the key properties of 1-hydroxy-N-[3-(2-methylprop-2-enoxy)phenyl]cyclopentane-1-carboxamide?
1-hydroxy-N-[3-(2-methylprop-2-enoxy)phenyl]cyclopentane-1-carboxamide has a molecular weight of 275.35 g/mol, XLogP of 2.89, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-N-[3-(2-methylprop-2-enoxy)phenyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 110929038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).