N-(3-hydroxy-2,2-dimethylcyclobutyl)-1-phenylcyclobutane-1-carboxamide

C17H23NO2 — CID 114631181

IUPACN-(3-hydroxy-2,2-dimethylcyclobutyl)-1-phenylcyclobutane-1-carboxamide
SMILESCC1(C)C(O)CC1NC(=O)C1(c2ccccc2)CCC1
InChIInChI=1S/C17H23NO2/c1-16(2)13(11-14(16)19)18-15(20)17(9-6-10-17)12-7-4-3-5-8-12/h3-5,7-8,13-14,19H,6,9-11H2,1-2H3,(H,18,20)
InChIKeyVJYRKTFGQPBRJA-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.38
Rot. Bonds3

About N-(3-hydroxy-2,2-dimethylcyclobutyl)-1-phenylcyclobutane-1-carboxamide

N-(3-hydroxy-2,2-dimethylcyclobutyl)-1-phenylcyclobutane-1-carboxamide (PubChem CID 114631181) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is N-(3-hydroxy-2,2-dimethylcyclobutyl)-1-phenylcyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxy-2,2-dimethylcyclobutyl)-1-phenylcyclobutane-1-carboxamide
PubChem CID114631181
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC NameN-(3-hydroxy-2,2-dimethylcyclobutyl)-1-phenylcyclobutane-1-carboxamide
SMILESCC1(C)C(O)CC1NC(=O)C1(c2ccccc2)CCC1
InChIInChI=1S/C17H23NO2/c1-16(2)13(11-14(16)19)18-15(20)17(9-6-10-17)12-7-4-3-5-8-12/h3-5,7-8,13-14,19H,6,9-11H2,1-2H3,(H,18,20)
InChIKeyVJYRKTFGQPBRJA-UHFFFAOYSA-N
XLogP2.38
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-methyl-2-[(1-phenylcyclopropanecarbonyl)amino]cyclopentane-1-carboxylic acid
CID 82765677
3-[(1-phenylcyclobutanecarbonyl)amino]cyclopentane-1-carboxylic acid
CID 66030740
N-(3-hydroxy-2,2-dimethylcyclobutyl)-1-methylcyclopropane-1-carboxamide
CID 126973302
N-[2-(aminomethyl)cyclopentyl]-1-phenylcyclobutane-1-carboxamide
CID 119602028
N-[(3R)-1-methylpiperidin-3-yl]-1-phenylcyclobutane-1-carboxamide
CID 95580679
2-[(1-phenylcyclobutanecarbonyl)amino]propanoic acid
CID 43355416
(2S,4S)-1-methyl-4-[(1-phenylcyclohexanecarbonyl)amino]pyrrolidine-2-carboxylic acid
CID 91760992
N-ethyl-1-phenylcyclopentane-1-carboxamide
CID 778764
N-(cyclopropylmethyl)-1-phenylcyclobutane-1-carboxamide
CID 34832176
N-(1-hydroxy-2-methylpropan-2-yl)-1-phenylcyclobutane-1-carboxamide
CID 43500661
N-(2-aminoethyl)-1-phenylcyclobutane-1-carboxamide;hydrochloride
CID 119383117
N-[(3S)-2-oxoazepan-3-yl]-1-phenylcyclobutane-1-carboxamide
CID 94660208

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-2,2-dimethylcyclobutyl)-1-phenylcyclobutane-1-carboxamide?
The IUPAC name of N-(3-hydroxy-2,2-dimethylcyclobutyl)-1-phenylcyclobutane-1-carboxamide (CID 114631181) is N-(3-hydroxy-2,2-dimethylcyclobutyl)-1-phenylcyclobutane-1-carboxamide.
What is the SMILES notation for N-(3-hydroxy-2,2-dimethylcyclobutyl)-1-phenylcyclobutane-1-carboxamide?
The canonical SMILES for N-(3-hydroxy-2,2-dimethylcyclobutyl)-1-phenylcyclobutane-1-carboxamide is CC1(C)C(O)CC1NC(=O)C1(c2ccccc2)CCC1.
What is the InChIKey of N-(3-hydroxy-2,2-dimethylcyclobutyl)-1-phenylcyclobutane-1-carboxamide?
The InChIKey is VJYRKTFGQPBRJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2/c1-16(2)13(11-14(16)19)18-15(20)17(9-6-10-17)12-7-4-3-5-8-12/h3-5,7-8,13-14,19H,6,9-11H2,1-2H3,(H,18,20).
What are the key properties of N-(3-hydroxy-2,2-dimethylcyclobutyl)-1-phenylcyclobutane-1-carboxamide?
N-(3-hydroxy-2,2-dimethylcyclobutyl)-1-phenylcyclobutane-1-carboxamide has a molecular weight of 273.38 g/mol, XLogP of 2.38, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-2,2-dimethylcyclobutyl)-1-phenylcyclobutane-1-carboxamide is sourced from PubChem (CID 114631181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).