N-[(1-hydroxycyclobutyl)methyl]-4-phenoxybenzamide

C18H19NO3 — CID 111445607

IUPACN-[(1-hydroxycyclobutyl)methyl]-4-phenoxybenzamide
SMILESO=C(NCC1(O)CCC1)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C18H19NO3/c20-17(19-13-18(21)11-4-12-18)14-7-9-16(10-8-14)22-15-5-2-1-3-6-15/h1-3,5-10,21H,4,11-13H2,(H,19,20)
InChIKeyLIVWULPBJXCLQT-UHFFFAOYSA-N
MW297.35 g/mol
LogP3.12
Rot. Bonds5

About N-[(1-hydroxycyclobutyl)methyl]-4-phenoxybenzamide

N-[(1-hydroxycyclobutyl)methyl]-4-phenoxybenzamide (PubChem CID 111445607) has the molecular formula C18H19NO3 and a molecular weight of 297.35 g/mol. Its IUPAC name is N-[(1-hydroxycyclobutyl)methyl]-4-phenoxybenzamide.

Molecular Properties

Compound NameN-[(1-hydroxycyclobutyl)methyl]-4-phenoxybenzamide
PubChem CID111445607
Molecular FormulaC18H19NO3
Molecular Weight297.35 g/mol
Exact Mass297.14
IUPAC NameN-[(1-hydroxycyclobutyl)methyl]-4-phenoxybenzamide
SMILESO=C(NCC1(O)CCC1)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C18H19NO3/c20-17(19-13-18(21)11-4-12-18)14-7-9-16(10-8-14)22-15-5-2-1-3-6-15/h1-3,5-10,21H,4,11-13H2,(H,19,20)
InChIKeyLIVWULPBJXCLQT-UHFFFAOYSA-N
XLogP3.12
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-hydroxycyclobutyl)methyl]-6-phenoxypyridine-3-carboxamide
CID 111539349
N-[(1-hydroxycyclopentyl)methyl]-6-phenoxypyridine-3-carboxamide
CID 111333099
4-[4-[(1-phenylcyclobutyl)methylcarbamoyl]phenoxy]benzamide
CID 56546048
N-[(1-hydroxycyclobutyl)methyl]naphthalene-2-carboxamide
CID 111445480
N-[[1-(dimethylamino)cyclopropyl]methyl]-4-phenoxybenzamide
CID 167985383
4-bromo-N-[(1-hydroxycyclobutyl)methyl]benzamide
CID 111445424
4-benzamido-N-[(1-hydroxycyclopentyl)methyl]benzamide
CID 111331437
N-[2-[(1-hydroxycyclobutyl)methylamino]-2-oxoethyl]benzamide
CID 111539734
4-ethoxy-N-[(1-hydroxycyclohexyl)methyl]benzamide
CID 64866990
N-[(1-hydroxycycloheptyl)methyl]-3-pyridin-4-yloxybenzamide
CID 111433205
4-hydroxy-N-[(1-hydroxycycloheptyl)methyl]benzamide
CID 65123054
4-formyl-N-[(1-hydroxycyclohexyl)methyl]benzamide
CID 111446164

Frequently Asked Questions

What is the IUPAC name of N-[(1-hydroxycyclobutyl)methyl]-4-phenoxybenzamide?
The IUPAC name of N-[(1-hydroxycyclobutyl)methyl]-4-phenoxybenzamide (CID 111445607) is N-[(1-hydroxycyclobutyl)methyl]-4-phenoxybenzamide.
What is the SMILES notation for N-[(1-hydroxycyclobutyl)methyl]-4-phenoxybenzamide?
The canonical SMILES for N-[(1-hydroxycyclobutyl)methyl]-4-phenoxybenzamide is O=C(NCC1(O)CCC1)c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of N-[(1-hydroxycyclobutyl)methyl]-4-phenoxybenzamide?
The InChIKey is LIVWULPBJXCLQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO3/c20-17(19-13-18(21)11-4-12-18)14-7-9-16(10-8-14)22-15-5-2-1-3-6-15/h1-3,5-10,21H,4,11-13H2,(H,19,20).
What are the key properties of N-[(1-hydroxycyclobutyl)methyl]-4-phenoxybenzamide?
N-[(1-hydroxycyclobutyl)methyl]-4-phenoxybenzamide has a molecular weight of 297.35 g/mol, XLogP of 3.12, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-hydroxycyclobutyl)methyl]-4-phenoxybenzamide is sourced from PubChem (CID 111445607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).