N-(1-hydroxy-4-methylpentan-2-yl)-1-(3-methylphenyl)cyclobutane-1-carboxamide

C18H27NO2 — CID 61245451

IUPACN-(1-hydroxy-4-methylpentan-2-yl)-1-(3-methylphenyl)cyclobutane-1-carboxamide
SMILESCc1cccc(C2(C(=O)NC(CO)CC(C)C)CCC2)c1
InChIInChI=1S/C18H27NO2/c1-13(2)10-16(12-20)19-17(21)18(8-5-9-18)15-7-4-6-14(3)11-15/h4,6-7,11,13,16,20H,5,8-10,12H2,1-3H3,(H,19,21)
InChIKeyWGGZSNMCWZJIQB-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.94
Rot. Bonds6

About N-(1-hydroxy-4-methylpentan-2-yl)-1-(3-methylphenyl)cyclobutane-1-carboxamide

N-(1-hydroxy-4-methylpentan-2-yl)-1-(3-methylphenyl)cyclobutane-1-carboxamide (PubChem CID 61245451) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is N-(1-hydroxy-4-methylpentan-2-yl)-1-(3-methylphenyl)cyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-(1-hydroxy-4-methylpentan-2-yl)-1-(3-methylphenyl)cyclobutane-1-carboxamide
PubChem CID61245451
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC NameN-(1-hydroxy-4-methylpentan-2-yl)-1-(3-methylphenyl)cyclobutane-1-carboxamide
SMILESCc1cccc(C2(C(=O)NC(CO)CC(C)C)CCC2)c1
InChIInChI=1S/C18H27NO2/c1-13(2)10-16(12-20)19-17(21)18(8-5-9-18)15-7-4-6-14(3)11-15/h4,6-7,11,13,16,20H,5,8-10,12H2,1-3H3,(H,19,21)
InChIKeyWGGZSNMCWZJIQB-UHFFFAOYSA-N
XLogP2.94
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-hydroxy-4-methylpentan-2-yl)-1-phenylcyclopropane-1-carboxamide
CID 61246338
N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-1-(3-methylphenyl)cyclobutane-1-carboxamide
CID 103801488
1-(4-chlorophenyl)-N-[(2R)-1-hydroxy-4-methylpentan-2-yl]cyclopropane-1-carboxamide
CID 11543898
1-(3-bromophenyl)-N-(1-hydroxypropan-2-yl)cyclopentane-1-carboxamide
CID 110887443
N-[2-(ethylamino)ethyl]-1-(3-methylphenyl)cyclopentane-1-carboxamide
CID 119507604
N-(2-chloroprop-2-enyl)-1-(3-methylphenyl)cyclobutane-1-carboxamide
CID 113238634
N-[(1-hydroxycyclobutyl)methyl]-1-(3-methylphenyl)cyclopentane-1-carboxamide
CID 111445825
N-(2-hydroxy-2-methylpropyl)-1-(3-methylphenyl)cyclobutane-1-carboxamide
CID 65109762
propan-2-yl 1-(3-methylphenyl)cyclobutane-1-carboxylate
CID 112724219
methyl 1-(3-methylphenyl)cyclobutane-1-carboxylate
CID 112724218
1-[[[1-(3-methylphenyl)cyclobutanecarbonyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 115449997
1-(3-chlorophenyl)-N-(1-hydroxybutan-2-yl)cyclopropane-1-carboxamide
CID 110438189

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-4-methylpentan-2-yl)-1-(3-methylphenyl)cyclobutane-1-carboxamide?
The IUPAC name of N-(1-hydroxy-4-methylpentan-2-yl)-1-(3-methylphenyl)cyclobutane-1-carboxamide (CID 61245451) is N-(1-hydroxy-4-methylpentan-2-yl)-1-(3-methylphenyl)cyclobutane-1-carboxamide.
What is the SMILES notation for N-(1-hydroxy-4-methylpentan-2-yl)-1-(3-methylphenyl)cyclobutane-1-carboxamide?
The canonical SMILES for N-(1-hydroxy-4-methylpentan-2-yl)-1-(3-methylphenyl)cyclobutane-1-carboxamide is Cc1cccc(C2(C(=O)NC(CO)CC(C)C)CCC2)c1.
What is the InChIKey of N-(1-hydroxy-4-methylpentan-2-yl)-1-(3-methylphenyl)cyclobutane-1-carboxamide?
The InChIKey is WGGZSNMCWZJIQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO2/c1-13(2)10-16(12-20)19-17(21)18(8-5-9-18)15-7-4-6-14(3)11-15/h4,6-7,11,13,16,20H,5,8-10,12H2,1-3H3,(H,19,21).
What are the key properties of N-(1-hydroxy-4-methylpentan-2-yl)-1-(3-methylphenyl)cyclobutane-1-carboxamide?
N-(1-hydroxy-4-methylpentan-2-yl)-1-(3-methylphenyl)cyclobutane-1-carboxamide has a molecular weight of 289.42 g/mol, XLogP of 2.94, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-4-methylpentan-2-yl)-1-(3-methylphenyl)cyclobutane-1-carboxamide is sourced from PubChem (CID 61245451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).