N-(2-hydroxy-2-methylpropyl)-1-(3-methylphenyl)cyclobutane-1-carboxamide

C16H23NO2 — CID 65109762

IUPACN-(2-hydroxy-2-methylpropyl)-1-(3-methylphenyl)cyclobutane-1-carboxamide
SMILESCc1cccc(C2(C(=O)NCC(C)(C)O)CCC2)c1
InChIInChI=1S/C16H23NO2/c1-12-6-4-7-13(10-12)16(8-5-9-16)14(18)17-11-15(2,3)19/h4,6-7,10,19H,5,8-9,11H2,1-3H3,(H,17,18)
InChIKeyBEOACNCIKLFKJM-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.30
Rot. Bonds4

About N-(2-hydroxy-2-methylpropyl)-1-(3-methylphenyl)cyclobutane-1-carboxamide

N-(2-hydroxy-2-methylpropyl)-1-(3-methylphenyl)cyclobutane-1-carboxamide (PubChem CID 65109762) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is N-(2-hydroxy-2-methylpropyl)-1-(3-methylphenyl)cyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-methylpropyl)-1-(3-methylphenyl)cyclobutane-1-carboxamide
PubChem CID65109762
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC NameN-(2-hydroxy-2-methylpropyl)-1-(3-methylphenyl)cyclobutane-1-carboxamide
SMILESCc1cccc(C2(C(=O)NCC(C)(C)O)CCC2)c1
InChIInChI=1S/C16H23NO2/c1-12-6-4-7-13(10-12)16(8-5-9-16)14(18)17-11-15(2,3)19/h4,6-7,10,19H,5,8-9,11H2,1-3H3,(H,17,18)
InChIKeyBEOACNCIKLFKJM-UHFFFAOYSA-N
XLogP2.30
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1-hydroxycyclobutyl)methyl]-1-(3-methylphenyl)cyclopentane-1-carboxamide
CID 111445825
N-(2-chloroprop-2-enyl)-1-(3-methylphenyl)cyclobutane-1-carboxamide
CID 113238634
N-[2-(ethylamino)ethyl]-1-(3-methylphenyl)cyclopentane-1-carboxamide
CID 119507604
1-[[[1-(3-methylphenyl)cyclobutanecarbonyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 115449997
1-(3-chlorophenyl)-N-(4-hydroxy-2,2-dimethylbutyl)cyclobutane-1-carboxamide
CID 103825229
4-[[1-(3-methylphenyl)cyclopentanecarbonyl]amino]butanoic acid
CID 119170628
N-(2-hydroxy-2-methylpropyl)-4-phenylpiperidine-4-carboxamide
CID 65106988
methyl 1-(3-methylphenyl)cyclobutane-1-carboxylate
CID 112724218
N-(3-hydroxy-4-methoxybutyl)-1-(3-methylphenyl)cyclobutane-1-carboxamide
CID 103876725
1-(3-methylphenyl)cyclopropane-1-carbohydrazide
CID 116844219
3-[[1-(3-fluorophenyl)cyclopentanecarbonyl]amino]-2,2-dimethylpropanoic acid
CID 119249767
N-(2-amino-2-methylpropyl)-1-(3-methoxyphenyl)cyclopentane-1-carboxamide
CID 119627481

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-methylpropyl)-1-(3-methylphenyl)cyclobutane-1-carboxamide?
The IUPAC name of N-(2-hydroxy-2-methylpropyl)-1-(3-methylphenyl)cyclobutane-1-carboxamide (CID 65109762) is N-(2-hydroxy-2-methylpropyl)-1-(3-methylphenyl)cyclobutane-1-carboxamide.
What is the SMILES notation for N-(2-hydroxy-2-methylpropyl)-1-(3-methylphenyl)cyclobutane-1-carboxamide?
The canonical SMILES for N-(2-hydroxy-2-methylpropyl)-1-(3-methylphenyl)cyclobutane-1-carboxamide is Cc1cccc(C2(C(=O)NCC(C)(C)O)CCC2)c1.
What is the InChIKey of N-(2-hydroxy-2-methylpropyl)-1-(3-methylphenyl)cyclobutane-1-carboxamide?
The InChIKey is BEOACNCIKLFKJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-12-6-4-7-13(10-12)16(8-5-9-16)14(18)17-11-15(2,3)19/h4,6-7,10,19H,5,8-9,11H2,1-3H3,(H,17,18).
What are the key properties of N-(2-hydroxy-2-methylpropyl)-1-(3-methylphenyl)cyclobutane-1-carboxamide?
N-(2-hydroxy-2-methylpropyl)-1-(3-methylphenyl)cyclobutane-1-carboxamide has a molecular weight of 261.37 g/mol, XLogP of 2.30, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-methylpropyl)-1-(3-methylphenyl)cyclobutane-1-carboxamide is sourced from PubChem (CID 65109762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).