4-(oxolan-2-ylmethoxy)-N-[(1-phenylcyclobutyl)methyl]benzamide

C23H27NO3 — CID 55492878

IUPAC4-(oxolan-2-ylmethoxy)-N-[(1-phenylcyclobutyl)methyl]benzamide
SMILESO=C(NCC1(c2ccccc2)CCC1)c1ccc(OCC2CCCO2)cc1
InChIInChI=1S/C23H27NO3/c25-22(24-17-23(13-5-14-23)19-6-2-1-3-7-19)18-9-11-20(12-10-18)27-16-21-8-4-15-26-21/h1-3,6-7,9-12,21H,4-5,8,13-17H2,(H,24,25)
InChIKeyYCBAPDGJBAENEB-UHFFFAOYSA-N
MW365.47 g/mol
LogP4.10
Rot. Bonds7

About 4-(oxolan-2-ylmethoxy)-N-[(1-phenylcyclobutyl)methyl]benzamide

4-(oxolan-2-ylmethoxy)-N-[(1-phenylcyclobutyl)methyl]benzamide (PubChem CID 55492878) has the molecular formula C23H27NO3 and a molecular weight of 365.47 g/mol. Its IUPAC name is 4-(oxolan-2-ylmethoxy)-N-[(1-phenylcyclobutyl)methyl]benzamide.

Molecular Properties

Compound Name4-(oxolan-2-ylmethoxy)-N-[(1-phenylcyclobutyl)methyl]benzamide
PubChem CID55492878
Molecular FormulaC23H27NO3
Molecular Weight365.47 g/mol
Exact Mass365.20
IUPAC Name4-(oxolan-2-ylmethoxy)-N-[(1-phenylcyclobutyl)methyl]benzamide
SMILESO=C(NCC1(c2ccccc2)CCC1)c1ccc(OCC2CCCO2)cc1
InChIInChI=1S/C23H27NO3/c25-22(24-17-23(13-5-14-23)19-6-2-1-3-7-19)18-9-11-20(12-10-18)27-16-21-8-4-15-26-21/h1-3,6-7,9-12,21H,4-5,8,13-17H2,(H,24,25)
InChIKeyYCBAPDGJBAENEB-UHFFFAOYSA-N
XLogP4.10
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.47
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(oxolan-2-ylmethoxy)-N-[(1-phenylcyclopropyl)methyl]benzamide
CID 46422005
N'-benzoyl-4-[[(2R)-oxolan-2-yl]methoxy]benzohydrazide
CID 2093036
N'-[4-(oxolan-2-ylmethoxy)benzoyl]-4-phenylbenzohydrazide
CID 17222468
4-[[(2R)-oxolan-2-yl]methoxy]-N-[(1-piperidin-1-ylcyclohexyl)methyl]benzamide
CID 7824799
4-[4-[(1-phenylcyclobutyl)methylcarbamoyl]phenoxy]benzamide
CID 56546048
N-cycloheptyl-4-[[(2R)-oxolan-2-yl]methoxy]benzamide
CID 2125237
4-(2-methylpropoxy)-N-[(1-phenylcyclopentyl)methyl]benzamide
CID 1120192
N-[(2R)-2-(dimethylamino)-2-phenylethyl]-4-[[(2S)-oxolan-2-yl]methoxy]benzamide
CID 32729367
2-methyl-3-[[4-(oxolan-2-ylmethoxy)benzoyl]amino]-2-phenylpropanoic acid
CID 120700819
N-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]-4-phenylbenzamide
CID 9294955
N-[2-(cyclopropanecarbonylamino)ethyl]-4-(oxolan-2-ylmethoxy)benzamide
CID 51153011
4-amino-N-[(1-phenylcyclobutyl)methyl]benzamide
CID 110462616

Frequently Asked Questions

What is the IUPAC name of 4-(oxolan-2-ylmethoxy)-N-[(1-phenylcyclobutyl)methyl]benzamide?
The IUPAC name of 4-(oxolan-2-ylmethoxy)-N-[(1-phenylcyclobutyl)methyl]benzamide (CID 55492878) is 4-(oxolan-2-ylmethoxy)-N-[(1-phenylcyclobutyl)methyl]benzamide.
What is the SMILES notation for 4-(oxolan-2-ylmethoxy)-N-[(1-phenylcyclobutyl)methyl]benzamide?
The canonical SMILES for 4-(oxolan-2-ylmethoxy)-N-[(1-phenylcyclobutyl)methyl]benzamide is O=C(NCC1(c2ccccc2)CCC1)c1ccc(OCC2CCCO2)cc1.
What is the InChIKey of 4-(oxolan-2-ylmethoxy)-N-[(1-phenylcyclobutyl)methyl]benzamide?
The InChIKey is YCBAPDGJBAENEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27NO3/c25-22(24-17-23(13-5-14-23)19-6-2-1-3-7-19)18-9-11-20(12-10-18)27-16-21-8-4-15-26-21/h1-3,6-7,9-12,21H,4-5,8,13-17H2,(H,24,25).
What are the key properties of 4-(oxolan-2-ylmethoxy)-N-[(1-phenylcyclobutyl)methyl]benzamide?
4-(oxolan-2-ylmethoxy)-N-[(1-phenylcyclobutyl)methyl]benzamide has a molecular weight of 365.47 g/mol, XLogP of 4.10, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(oxolan-2-ylmethoxy)-N-[(1-phenylcyclobutyl)methyl]benzamide is sourced from PubChem (CID 55492878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).