N-[[4-(2-methylphenyl)oxan-4-yl]methyl]benzamide

C20H23NO2 — CID 47071148

IUPACN-[[4-(2-methylphenyl)oxan-4-yl]methyl]benzamide
SMILESCc1ccccc1C1(CNC(=O)c2ccccc2)CCOCC1
InChIInChI=1S/C20H23NO2/c1-16-7-5-6-10-18(16)20(11-13-23-14-12-20)15-21-19(22)17-8-3-2-4-9-17/h2-10H,11-15H2,1H3,(H,21,22)
InChIKeyMXIBMNRLCHLQCC-UHFFFAOYSA-N
MW309.41 g/mol
LogP3.47
Rot. Bonds4

About N-[[4-(2-methylphenyl)oxan-4-yl]methyl]benzamide

N-[[4-(2-methylphenyl)oxan-4-yl]methyl]benzamide (PubChem CID 47071148) has the molecular formula C20H23NO2 and a molecular weight of 309.41 g/mol. Its IUPAC name is N-[[4-(2-methylphenyl)oxan-4-yl]methyl]benzamide.

Molecular Properties

Compound NameN-[[4-(2-methylphenyl)oxan-4-yl]methyl]benzamide
PubChem CID47071148
Molecular FormulaC20H23NO2
Molecular Weight309.41 g/mol
Exact Mass309.17
IUPAC NameN-[[4-(2-methylphenyl)oxan-4-yl]methyl]benzamide
SMILESCc1ccccc1C1(CNC(=O)c2ccccc2)CCOCC1
InChIInChI=1S/C20H23NO2/c1-16-7-5-6-10-18(16)20(11-13-23-14-12-20)15-21-19(22)17-8-3-2-4-9-17/h2-10H,11-15H2,1H3,(H,21,22)
InChIKeyMXIBMNRLCHLQCC-UHFFFAOYSA-N
XLogP3.47
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(1,1-Dimethylethyl)-N-(phenylmethyl)benzamide
CID 809338
4-Tert-butyl-N-(2-phenylethyl)benzamide
CID 809340
2-methyl-N-(2-methylbenzyl)benzamide
CID 881366
2-methyl-N-(3-phenylpropyl)benzamide
CID 2186870
2-methyl-N-(2-phenylethyl)benzamide
CID 668773
N-allyl-2-(2-phenylethyl)benzamide
CID 2228922
N-[(1-phenylcyclopentyl)methyl]benzamide
CID 793076
N-isopropyl-2-biphenylcarboxamide
CID 976213
Biphenyl-4-carboxylic acid (3,3-dimethyl-butyl)-amide
CID 11044208
Ethyl 2-[[4-[[4-(trifluoromethyl)phenyl]methylcarbamoyl]phenyl]methyl]butanoate
CID 127041516
4-tert-butyl-N-[(4-formylphenyl)methyl]benzamide
CID 137644758
N-benzyl-2-phenylbenzamide
CID 1307388

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-methylphenyl)oxan-4-yl]methyl]benzamide?
The IUPAC name of N-[[4-(2-methylphenyl)oxan-4-yl]methyl]benzamide (CID 47071148) is N-[[4-(2-methylphenyl)oxan-4-yl]methyl]benzamide.
What is the SMILES notation for N-[[4-(2-methylphenyl)oxan-4-yl]methyl]benzamide?
The canonical SMILES for N-[[4-(2-methylphenyl)oxan-4-yl]methyl]benzamide is Cc1ccccc1C1(CNC(=O)c2ccccc2)CCOCC1.
What is the InChIKey of N-[[4-(2-methylphenyl)oxan-4-yl]methyl]benzamide?
The InChIKey is MXIBMNRLCHLQCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO2/c1-16-7-5-6-10-18(16)20(11-13-23-14-12-20)15-21-19(22)17-8-3-2-4-9-17/h2-10H,11-15H2,1H3,(H,21,22).
What are the key properties of N-[[4-(2-methylphenyl)oxan-4-yl]methyl]benzamide?
N-[[4-(2-methylphenyl)oxan-4-yl]methyl]benzamide has a molecular weight of 309.41 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-methylphenyl)oxan-4-yl]methyl]benzamide is sourced from PubChem (CID 47071148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).