N-(oxan-4-ylmethyl)-3-phenylbenzamide

C19H21NO2 — CID 110736393

IUPACN-(oxan-4-ylmethyl)-3-phenylbenzamide
SMILESO=C(NCC1CCOCC1)c1cccc(-c2ccccc2)c1
InChIInChI=1S/C19H21NO2/c21-19(20-14-15-9-11-22-12-10-15)18-8-4-7-17(13-18)16-5-2-1-3-6-16/h1-8,13,15H,9-12,14H2,(H,20,21)
InChIKeyKRRNVUJZQNNHCJ-UHFFFAOYSA-N
MW295.38 g/mol
LogP3.51
Rot. Bonds4

About N-(oxan-4-ylmethyl)-3-phenylbenzamide

N-(oxan-4-ylmethyl)-3-phenylbenzamide (PubChem CID 110736393) has the molecular formula C19H21NO2 and a molecular weight of 295.38 g/mol. Its IUPAC name is N-(oxan-4-ylmethyl)-3-phenylbenzamide.

Molecular Properties

Compound NameN-(oxan-4-ylmethyl)-3-phenylbenzamide
PubChem CID110736393
Molecular FormulaC19H21NO2
Molecular Weight295.38 g/mol
Exact Mass295.16
IUPAC NameN-(oxan-4-ylmethyl)-3-phenylbenzamide
SMILESO=C(NCC1CCOCC1)c1cccc(-c2ccccc2)c1
InChIInChI=1S/C19H21NO2/c21-19(20-14-15-9-11-22-12-10-15)18-8-4-7-17(13-18)16-5-2-1-3-6-16/h1-8,13,15H,9-12,14H2,(H,20,21)
InChIKeyKRRNVUJZQNNHCJ-UHFFFAOYSA-N
XLogP3.51
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3,4-difluorophenyl)-N-(oxan-4-ylmethyl)benzamide
CID 118793007
3,4-dichloro-N-(oxan-4-ylmethyl)benzamide
CID 110736364
N-[(3-cyclopropyl-2-oxo-1,3-oxazolidin-5-yl)methyl]-3-phenylbenzamide
CID 110315613
4-chloro-N-(oxan-4-ylmethyl)benzamide
CID 110736386
4-methyl-N-(oxan-4-ylmethyl)benzamide
CID 110736358
4-amino-N-(oxan-4-ylmethyl)benzamide
CID 63727258
[4-(oxan-4-ylmethylcarbamoyl)phenyl]carbamic acid
CID 90422434
3-bromo-4-methyl-N-(oxan-4-ylmethyl)benzamide
CID 79462678
3-[4-[2-(cyclopropylmethylamino)-2-oxoethyl]phenyl]benzoic acid
CID 18457811
4-bromo-3-chloro-N-(oxan-4-ylmethyl)benzamide
CID 80998003
3-(dimethylamino)-N-(oxolan-3-ylmethyl)benzamide
CID 47179453
3,4,5-trifluoro-N-(oxan-4-ylmethyl)benzamide
CID 63235633

Frequently Asked Questions

What is the IUPAC name of N-(oxan-4-ylmethyl)-3-phenylbenzamide?
The IUPAC name of N-(oxan-4-ylmethyl)-3-phenylbenzamide (CID 110736393) is N-(oxan-4-ylmethyl)-3-phenylbenzamide.
What is the SMILES notation for N-(oxan-4-ylmethyl)-3-phenylbenzamide?
The canonical SMILES for N-(oxan-4-ylmethyl)-3-phenylbenzamide is O=C(NCC1CCOCC1)c1cccc(-c2ccccc2)c1.
What is the InChIKey of N-(oxan-4-ylmethyl)-3-phenylbenzamide?
The InChIKey is KRRNVUJZQNNHCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO2/c21-19(20-14-15-9-11-22-12-10-15)18-8-4-7-17(13-18)16-5-2-1-3-6-16/h1-8,13,15H,9-12,14H2,(H,20,21).
What are the key properties of N-(oxan-4-ylmethyl)-3-phenylbenzamide?
N-(oxan-4-ylmethyl)-3-phenylbenzamide has a molecular weight of 295.38 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-4-ylmethyl)-3-phenylbenzamide is sourced from PubChem (CID 110736393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).