N-(1-hydroxy-2-methylpropan-2-yl)-1-phenylcyclobutane-1-carboxamide

C15H21NO2 — CID 43500661

IUPACN-(1-hydroxy-2-methylpropan-2-yl)-1-phenylcyclobutane-1-carboxamide
SMILESCC(C)(CO)NC(=O)C1(c2ccccc2)CCC1
InChIInChI=1S/C15H21NO2/c1-14(2,11-17)16-13(18)15(9-6-10-15)12-7-4-3-5-8-12/h3-5,7-8,17H,6,9-11H2,1-2H3,(H,16,18)
InChIKeyAGYPXNBUGJBURM-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.00
Rot. Bonds4

About N-(1-hydroxy-2-methylpropan-2-yl)-1-phenylcyclobutane-1-carboxamide

N-(1-hydroxy-2-methylpropan-2-yl)-1-phenylcyclobutane-1-carboxamide (PubChem CID 43500661) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is N-(1-hydroxy-2-methylpropan-2-yl)-1-phenylcyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-(1-hydroxy-2-methylpropan-2-yl)-1-phenylcyclobutane-1-carboxamide
PubChem CID43500661
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC NameN-(1-hydroxy-2-methylpropan-2-yl)-1-phenylcyclobutane-1-carboxamide
SMILESCC(C)(CO)NC(=O)C1(c2ccccc2)CCC1
InChIInChI=1S/C15H21NO2/c1-14(2,11-17)16-13(18)15(9-6-10-15)12-7-4-3-5-8-12/h3-5,7-8,17H,6,9-11H2,1-2H3,(H,16,18)
InChIKeyAGYPXNBUGJBURM-UHFFFAOYSA-N
XLogP2.00
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-bromo-2-methylpropan-2-yl)-1-phenylcyclopropane-1-carboxamide
CID 114308184
N-(1-amino-2-methyl-1-oxopropan-2-yl)-1-phenylcyclopentane-1-carboxamide
CID 110476181
N-(2,2-dimethylpropyl)-1-phenylcyclohexane-1-carboxamide
CID 110474016
2-[(1-phenylcyclobutanecarbonyl)amino]propanoic acid
CID 43355416
N-[3-(aminomethyl)pentan-3-yl]-1-phenylcyclopropane-1-carboxamide
CID 63765721
N-ethyl-1-phenylcyclopentane-1-carboxamide
CID 778764
N-(1-amino-3-methylpentan-3-yl)-1-phenylcyclopropane-1-carboxamide
CID 106164789
N-(4-hydroxy-2,2-dimethylpentyl)-1-phenylcyclobutane-1-carboxamide
CID 111520147
N-[2-(2-methylpropanoylamino)ethyl]-1-phenylcyclobutane-1-carboxamide
CID 24666491
2-methyl-3-[(1-phenylcyclobutanecarbonyl)amino]propanoic acid
CID 55105160
N-[4-(2-adamantylamino)-2-methyl-4-oxobutan-2-yl]-1-phenylcyclopropane-1-carboxamide
CID 54755819
N-(2-aminoethyl)-1-phenylcyclobutane-1-carboxamide;hydrochloride
CID 119383117

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-2-methylpropan-2-yl)-1-phenylcyclobutane-1-carboxamide?
The IUPAC name of N-(1-hydroxy-2-methylpropan-2-yl)-1-phenylcyclobutane-1-carboxamide (CID 43500661) is N-(1-hydroxy-2-methylpropan-2-yl)-1-phenylcyclobutane-1-carboxamide.
What is the SMILES notation for N-(1-hydroxy-2-methylpropan-2-yl)-1-phenylcyclobutane-1-carboxamide?
The canonical SMILES for N-(1-hydroxy-2-methylpropan-2-yl)-1-phenylcyclobutane-1-carboxamide is CC(C)(CO)NC(=O)C1(c2ccccc2)CCC1.
What is the InChIKey of N-(1-hydroxy-2-methylpropan-2-yl)-1-phenylcyclobutane-1-carboxamide?
The InChIKey is AGYPXNBUGJBURM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-14(2,11-17)16-13(18)15(9-6-10-15)12-7-4-3-5-8-12/h3-5,7-8,17H,6,9-11H2,1-2H3,(H,16,18).
What are the key properties of N-(1-hydroxy-2-methylpropan-2-yl)-1-phenylcyclobutane-1-carboxamide?
N-(1-hydroxy-2-methylpropan-2-yl)-1-phenylcyclobutane-1-carboxamide has a molecular weight of 247.34 g/mol, XLogP of 2.00, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-2-methylpropan-2-yl)-1-phenylcyclobutane-1-carboxamide is sourced from PubChem (CID 43500661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).