2-cyclobutyloxy-N-[(1-hydroxycyclobutyl)methyl]benzamide

C16H21NO3 — CID 111539711

IUPAC2-cyclobutyloxy-N-[(1-hydroxycyclobutyl)methyl]benzamide
SMILESO=C(NCC1(O)CCC1)c1ccccc1OC1CCC1
InChIInChI=1S/C16H21NO3/c18-15(17-11-16(19)9-4-10-16)13-7-1-2-8-14(13)20-12-5-3-6-12/h1-2,7-8,12,19H,3-6,9-11H2,(H,17,18)
InChIKeyRREVNPWSPIFWQS-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.26
Rot. Bonds5

About 2-cyclobutyloxy-N-[(1-hydroxycyclobutyl)methyl]benzamide

2-cyclobutyloxy-N-[(1-hydroxycyclobutyl)methyl]benzamide (PubChem CID 111539711) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is 2-cyclobutyloxy-N-[(1-hydroxycyclobutyl)methyl]benzamide.

Molecular Properties

Compound Name2-cyclobutyloxy-N-[(1-hydroxycyclobutyl)methyl]benzamide
PubChem CID111539711
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC Name2-cyclobutyloxy-N-[(1-hydroxycyclobutyl)methyl]benzamide
SMILESO=C(NCC1(O)CCC1)c1ccccc1OC1CCC1
InChIInChI=1S/C16H21NO3/c18-15(17-11-16(19)9-4-10-16)13-7-1-2-8-14(13)20-12-5-3-6-12/h1-2,7-8,12,19H,3-6,9-11H2,(H,17,18)
InChIKeyRREVNPWSPIFWQS-UHFFFAOYSA-N
XLogP2.26
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclobutyloxy-N-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]benzamide
CID 86972570
2-hydroxy-N-[(1-hydroxycyclobutyl)methyl]-3-methoxybenzamide
CID 113248973
2-hydroxy-N-[(1-hydroxycyclopentyl)methyl]benzamide
CID 65113744
2-cyclohexyloxy-N-(2-hydroxypropyl)benzamide
CID 110466231
2-cyclobutyloxy-N-(3-hydroxybutyl)benzamide
CID 111433576
N-[(1-hydroxycyclobutyl)methyl]-2-phenylbenzamide
CID 111445443
2-acetyl-N-[(1-hydroxycyclopentyl)methyl]benzamide
CID 111538677
2-anilino-N-[(1-hydroxycyclobutyl)methyl]benzamide
CID 111445640
N-[(1-hydroxycycloheptyl)methyl]-2-methylbenzamide
CID 22267456
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(1-hydroxycyclobutyl)methyl]benzamide
CID 111445543
2-cyclobutyloxy-N-[2-(2-fluorophenyl)-2-hydroxyethyl]benzamide
CID 111565849
2,3-dihydroxy-N-[(1-hydroxycycloheptyl)methyl]benzamide
CID 114344927

Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyloxy-N-[(1-hydroxycyclobutyl)methyl]benzamide?
The IUPAC name of 2-cyclobutyloxy-N-[(1-hydroxycyclobutyl)methyl]benzamide (CID 111539711) is 2-cyclobutyloxy-N-[(1-hydroxycyclobutyl)methyl]benzamide.
What is the SMILES notation for 2-cyclobutyloxy-N-[(1-hydroxycyclobutyl)methyl]benzamide?
The canonical SMILES for 2-cyclobutyloxy-N-[(1-hydroxycyclobutyl)methyl]benzamide is O=C(NCC1(O)CCC1)c1ccccc1OC1CCC1.
What is the InChIKey of 2-cyclobutyloxy-N-[(1-hydroxycyclobutyl)methyl]benzamide?
The InChIKey is RREVNPWSPIFWQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3/c18-15(17-11-16(19)9-4-10-16)13-7-1-2-8-14(13)20-12-5-3-6-12/h1-2,7-8,12,19H,3-6,9-11H2,(H,17,18).
What are the key properties of 2-cyclobutyloxy-N-[(1-hydroxycyclobutyl)methyl]benzamide?
2-cyclobutyloxy-N-[(1-hydroxycyclobutyl)methyl]benzamide has a molecular weight of 275.35 g/mol, XLogP of 2.26, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyloxy-N-[(1-hydroxycyclobutyl)methyl]benzamide is sourced from PubChem (CID 111539711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).