N-(3-hydroxy-2,2-dimethylcyclobutyl)-3-(2-methylpropoxy)benzamide

C17H25NO3 — CID 114630870

IUPACN-(3-hydroxy-2,2-dimethylcyclobutyl)-3-(2-methylpropoxy)benzamide
SMILESCC(C)COc1cccc(C(=O)NC2CC(O)C2(C)C)c1
InChIInChI=1S/C17H25NO3/c1-11(2)10-21-13-7-5-6-12(8-13)16(20)18-14-9-15(19)17(14,3)4/h5-8,11,14-15,19H,9-10H2,1-4H3,(H,18,20)
InChIKeyOWKQEBDNHQPGNH-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.61
Rot. Bonds5

About N-(3-hydroxy-2,2-dimethylcyclobutyl)-3-(2-methylpropoxy)benzamide

N-(3-hydroxy-2,2-dimethylcyclobutyl)-3-(2-methylpropoxy)benzamide (PubChem CID 114630870) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is N-(3-hydroxy-2,2-dimethylcyclobutyl)-3-(2-methylpropoxy)benzamide.

Molecular Properties

Compound NameN-(3-hydroxy-2,2-dimethylcyclobutyl)-3-(2-methylpropoxy)benzamide
PubChem CID114630870
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC NameN-(3-hydroxy-2,2-dimethylcyclobutyl)-3-(2-methylpropoxy)benzamide
SMILESCC(C)COc1cccc(C(=O)NC2CC(O)C2(C)C)c1
InChIInChI=1S/C17H25NO3/c1-11(2)10-21-13-7-5-6-12(8-13)16(20)18-14-9-15(19)17(14,3)4/h5-8,11,14-15,19H,9-10H2,1-4H3,(H,18,20)
InChIKeyOWKQEBDNHQPGNH-UHFFFAOYSA-N
XLogP2.61
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-adamantyl)-3-(2-methylpropoxy)benzamide
CID 893118
N-(3-methylcyclopentyl)-3-(2-methylpropoxy)benzamide
CID 114550259
N-[(3-hydroxycyclobutyl)methyl]-3-(2-methylpropoxy)benzamide
CID 66007075
N-(3-hydroxy-2,2-dimethylcyclobutyl)-3-(methoxymethyl)benzamide
CID 114630677
N-(3-hydroxy-2,2-dimethylcyclobutyl)-2-(3-propan-2-ylphenoxy)acetamide
CID 114630480
N-(2-methylpiperidin-4-yl)-3-(2-methylpropoxy)benzamide;hydrochloride
CID 120600797
3-(2-methylpropoxy)benzoyl chloride
CID 4772728
N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-(2-methylpropoxy)benzamide
CID 120948701
N-cyclopentyloxy-3-(2-methylpropoxy)benzamide
CID 83201941
N-[(2S)-2-hydroxypropyl]-3-(2-methylpropoxy)benzamide
CID 83030958
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3-(2-methylpropoxy)benzamide
CID 107845536
(2S)-3-methyl-2-[[3-(2-methylpropoxy)benzoyl]amino]butanoic acid
CID 61136776

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-2,2-dimethylcyclobutyl)-3-(2-methylpropoxy)benzamide?
The IUPAC name of N-(3-hydroxy-2,2-dimethylcyclobutyl)-3-(2-methylpropoxy)benzamide (CID 114630870) is N-(3-hydroxy-2,2-dimethylcyclobutyl)-3-(2-methylpropoxy)benzamide.
What is the SMILES notation for N-(3-hydroxy-2,2-dimethylcyclobutyl)-3-(2-methylpropoxy)benzamide?
The canonical SMILES for N-(3-hydroxy-2,2-dimethylcyclobutyl)-3-(2-methylpropoxy)benzamide is CC(C)COc1cccc(C(=O)NC2CC(O)C2(C)C)c1.
What is the InChIKey of N-(3-hydroxy-2,2-dimethylcyclobutyl)-3-(2-methylpropoxy)benzamide?
The InChIKey is OWKQEBDNHQPGNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c1-11(2)10-21-13-7-5-6-12(8-13)16(20)18-14-9-15(19)17(14,3)4/h5-8,11,14-15,19H,9-10H2,1-4H3,(H,18,20).
What are the key properties of N-(3-hydroxy-2,2-dimethylcyclobutyl)-3-(2-methylpropoxy)benzamide?
N-(3-hydroxy-2,2-dimethylcyclobutyl)-3-(2-methylpropoxy)benzamide has a molecular weight of 291.39 g/mol, XLogP of 2.61, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-2,2-dimethylcyclobutyl)-3-(2-methylpropoxy)benzamide is sourced from PubChem (CID 114630870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).