N-(4-hydroxy-2,2-dimethylpentyl)-1-phenylcyclobutane-1-carboxamide

C18H27NO2 — CID 111520147

IUPACN-(4-hydroxy-2,2-dimethylpentyl)-1-phenylcyclobutane-1-carboxamide
SMILESCC(O)CC(C)(C)CNC(=O)C1(c2ccccc2)CCC1
InChIInChI=1S/C18H27NO2/c1-14(20)12-17(2,3)13-19-16(21)18(10-7-11-18)15-8-5-4-6-9-15/h4-6,8-9,14,20H,7,10-13H2,1-3H3,(H,19,21)
InChIKeyIKDHNJHQLRFJFI-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.02
Rot. Bonds6

About N-(4-hydroxy-2,2-dimethylpentyl)-1-phenylcyclobutane-1-carboxamide

N-(4-hydroxy-2,2-dimethylpentyl)-1-phenylcyclobutane-1-carboxamide (PubChem CID 111520147) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is N-(4-hydroxy-2,2-dimethylpentyl)-1-phenylcyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxy-2,2-dimethylpentyl)-1-phenylcyclobutane-1-carboxamide
PubChem CID111520147
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC NameN-(4-hydroxy-2,2-dimethylpentyl)-1-phenylcyclobutane-1-carboxamide
SMILESCC(O)CC(C)(C)CNC(=O)C1(c2ccccc2)CCC1
InChIInChI=1S/C18H27NO2/c1-14(20)12-17(2,3)13-19-16(21)18(10-7-11-18)15-8-5-4-6-9-15/h4-6,8-9,14,20H,7,10-13H2,1-3H3,(H,19,21)
InChIKeyIKDHNJHQLRFJFI-UHFFFAOYSA-N
XLogP3.02
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 ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,2-dimethylpropyl)-1-phenylcyclohexane-1-carboxamide
CID 110474016
N-[2-(2-methylpropanoylamino)ethyl]-1-phenylcyclobutane-1-carboxamide
CID 24666491
2-methyl-3-[(1-phenylcyclobutanecarbonyl)amino]propanoic acid
CID 55105160
1-(4-hydroxy-2,2-dimethylpentyl)-3-[(4-phenyloxan-4-yl)methyl]urea
CID 111479610
2-[(1-phenylcyclobutanecarbonyl)amino]propanoic acid
CID 43355416
N-ethyl-1-phenylcyclopentane-1-carboxamide
CID 778764
N-(2-amino-2-ethylbutyl)-1-phenylcyclopentane-1-carboxamide;hydrochloride
CID 119642990
1-(4-fluorophenyl)-N-(2-hydroxy-2-phenylpropyl)cyclobutane-1-carboxamide
CID 111337686
N-(1-hydroxy-2-methylpropan-2-yl)-1-phenylcyclobutane-1-carboxamide
CID 43500661
N-[(1-hydroxycyclohexyl)methyl]-1-phenylcyclobutane-1-carboxamide
CID 64865922
N-(2-hydroxy-2-methylpropyl)-4-phenylpiperidine-4-carboxamide
CID 65106988
1-(3-chlorophenyl)-N-(4-hydroxy-2,2-dimethylbutyl)cyclobutane-1-carboxamide
CID 103825229

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-2,2-dimethylpentyl)-1-phenylcyclobutane-1-carboxamide?
The IUPAC name of N-(4-hydroxy-2,2-dimethylpentyl)-1-phenylcyclobutane-1-carboxamide (CID 111520147) is N-(4-hydroxy-2,2-dimethylpentyl)-1-phenylcyclobutane-1-carboxamide.
What is the SMILES notation for N-(4-hydroxy-2,2-dimethylpentyl)-1-phenylcyclobutane-1-carboxamide?
The canonical SMILES for N-(4-hydroxy-2,2-dimethylpentyl)-1-phenylcyclobutane-1-carboxamide is CC(O)CC(C)(C)CNC(=O)C1(c2ccccc2)CCC1.
What is the InChIKey of N-(4-hydroxy-2,2-dimethylpentyl)-1-phenylcyclobutane-1-carboxamide?
The InChIKey is IKDHNJHQLRFJFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO2/c1-14(20)12-17(2,3)13-19-16(21)18(10-7-11-18)15-8-5-4-6-9-15/h4-6,8-9,14,20H,7,10-13H2,1-3H3,(H,19,21).
What are the key properties of N-(4-hydroxy-2,2-dimethylpentyl)-1-phenylcyclobutane-1-carboxamide?
N-(4-hydroxy-2,2-dimethylpentyl)-1-phenylcyclobutane-1-carboxamide has a molecular weight of 289.42 g/mol, XLogP of 3.02, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-2,2-dimethylpentyl)-1-phenylcyclobutane-1-carboxamide is sourced from PubChem (CID 111520147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).