N-[(3-hydroxycyclobutyl)methyl]-3-(2-methylpropoxy)benzamide

C16H23NO3 — CID 66007075

IUPACN-[(3-hydroxycyclobutyl)methyl]-3-(2-methylpropoxy)benzamide
SMILESCC(C)COc1cccc(C(=O)NCC2CC(O)C2)c1
InChIInChI=1S/C16H23NO3/c1-11(2)10-20-15-5-3-4-13(8-15)16(19)17-9-12-6-14(18)7-12/h3-5,8,11-12,14,18H,6-7,9-10H2,1-2H3,(H,17,19)
InChIKeyBOSGAFNTQCJFPY-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.22
Rot. Bonds6

About N-[(3-hydroxycyclobutyl)methyl]-3-(2-methylpropoxy)benzamide

N-[(3-hydroxycyclobutyl)methyl]-3-(2-methylpropoxy)benzamide (PubChem CID 66007075) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is N-[(3-hydroxycyclobutyl)methyl]-3-(2-methylpropoxy)benzamide.

Molecular Properties

Compound NameN-[(3-hydroxycyclobutyl)methyl]-3-(2-methylpropoxy)benzamide
PubChem CID66007075
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC NameN-[(3-hydroxycyclobutyl)methyl]-3-(2-methylpropoxy)benzamide
SMILESCC(C)COc1cccc(C(=O)NCC2CC(O)C2)c1
InChIInChI=1S/C16H23NO3/c1-11(2)10-20-15-5-3-4-13(8-15)16(19)17-9-12-6-14(18)7-12/h3-5,8,11-12,14,18H,6-7,9-10H2,1-2H3,(H,17,19)
InChIKeyBOSGAFNTQCJFPY-UHFFFAOYSA-N
XLogP2.22
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-(2-methylpropoxy)benzamide
CID 120948701
trans-(1S,2R)-2-[[[3-(2-methylpropoxy)benzoyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 108732264
N-[(2S)-2-hydroxypropyl]-3-(2-methylpropoxy)benzamide
CID 83030958
N-(2-adamantyl)-3-(2-methylpropoxy)benzamide
CID 893118
N-(3-methylcyclopentyl)-3-(2-methylpropoxy)benzamide
CID 114550259
N-(3-hydroxy-2,2-dimethylcyclobutyl)-3-(2-methylpropoxy)benzamide
CID 114630870
N-(3-hydroxy-2-methylpropyl)-3-(2-methylpropoxy)benzamide
CID 65037333
3-fluoro-N-[(3-hydroxycyclobutyl)methyl]benzamide
CID 66005334
2-hydroxy-3-[[3-(2-methylpropoxy)benzoyl]amino]propanoic acid
CID 66168078
N-(4-hydroxybutyl)-3-(2-methylpropoxy)benzamide
CID 106842963
3-(2-methylpropoxy)benzoyl chloride
CID 4772728
1-[(3-hydroxycyclohexyl)methyl]-3-[3-(2-methylpropoxy)phenyl]urea
CID 111473884

Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxycyclobutyl)methyl]-3-(2-methylpropoxy)benzamide?
The IUPAC name of N-[(3-hydroxycyclobutyl)methyl]-3-(2-methylpropoxy)benzamide (CID 66007075) is N-[(3-hydroxycyclobutyl)methyl]-3-(2-methylpropoxy)benzamide.
What is the SMILES notation for N-[(3-hydroxycyclobutyl)methyl]-3-(2-methylpropoxy)benzamide?
The canonical SMILES for N-[(3-hydroxycyclobutyl)methyl]-3-(2-methylpropoxy)benzamide is CC(C)COc1cccc(C(=O)NCC2CC(O)C2)c1.
What is the InChIKey of N-[(3-hydroxycyclobutyl)methyl]-3-(2-methylpropoxy)benzamide?
The InChIKey is BOSGAFNTQCJFPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-11(2)10-20-15-5-3-4-13(8-15)16(19)17-9-12-6-14(18)7-12/h3-5,8,11-12,14,18H,6-7,9-10H2,1-2H3,(H,17,19).
What are the key properties of N-[(3-hydroxycyclobutyl)methyl]-3-(2-methylpropoxy)benzamide?
N-[(3-hydroxycyclobutyl)methyl]-3-(2-methylpropoxy)benzamide has a molecular weight of 277.36 g/mol, XLogP of 2.22, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxycyclobutyl)methyl]-3-(2-methylpropoxy)benzamide is sourced from PubChem (CID 66007075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).