N-[(1-benzhydrylazetidin-3-yl)methyl]-2-methylbenzamide

C25H26N2O — CID 71660278

IUPACN-[(1-benzhydrylazetidin-3-yl)methyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NCC1CN(C(c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C25H26N2O/c1-19-10-8-9-15-23(19)25(28)26-16-20-17-27(18-20)24(21-11-4-2-5-12-21)22-13-6-3-7-14-22/h2-15,20,24H,16-18H2,1H3,(H,26,28)
InChIKeyKCKGAICFNYCLQY-UHFFFAOYSA-N
MW370.50 g/mol
LogP4.45
Rot. Bonds6

About N-[(1-benzhydrylazetidin-3-yl)methyl]-2-methylbenzamide

N-[(1-benzhydrylazetidin-3-yl)methyl]-2-methylbenzamide (PubChem CID 71660278) has the molecular formula C25H26N2O and a molecular weight of 370.50 g/mol. Its IUPAC name is N-[(1-benzhydrylazetidin-3-yl)methyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[(1-benzhydrylazetidin-3-yl)methyl]-2-methylbenzamide
PubChem CID71660278
Molecular FormulaC25H26N2O
Molecular Weight370.50 g/mol
Exact Mass370.20
IUPAC NameN-[(1-benzhydrylazetidin-3-yl)methyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NCC1CN(C(c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C25H26N2O/c1-19-10-8-9-15-23(19)25(28)26-16-20-17-27(18-20)24(21-11-4-2-5-12-21)22-13-6-3-7-14-22/h2-15,20,24H,16-18H2,1H3,(H,26,28)
InChIKeyKCKGAICFNYCLQY-UHFFFAOYSA-N
XLogP4.45
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.50
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-bromocyclopentyl)methyl]-2-methylbenzamide
CID 106128335
N-[(1-acetylpiperidin-4-yl)methyl]-2-methylbenzamide
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2,4-dimethyl-N-[(1-propan-2-ylazetidin-3-yl)methyl]benzamide
CID 178151169
2-amino-3-methyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzamide
CID 61207718
2-methyl-N-[[1-(3-methylphenyl)pyrrolidin-3-yl]methyl]benzamide
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N-[(1-benzhydrylpiperidin-4-yl)methyl]-2-[butyl(carbamoyl)amino]benzamide
CID 67763797
N-(2-bromo-2-phenylethyl)-2-methylbenzamide
CID 114308218
2-hydroxy-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzamide
CID 51094816
N-[2-(2,2-diphenylethylamino)-2-oxoethyl]-2-methylbenzamide
CID 51165739
N-[(4-hydroxycyclohexyl)methyl]-2,3-dimethylbenzamide
CID 106123854
2-methyl-N-[2-oxo-2-(1-phenylethylamino)ethyl]benzamide
CID 42702795
N-[[(1S,2R)-2-hydroxycyclohexyl]methyl]-2-methylbenzamide
CID 70846071

Frequently Asked Questions

What is the IUPAC name of N-[(1-benzhydrylazetidin-3-yl)methyl]-2-methylbenzamide?
The IUPAC name of N-[(1-benzhydrylazetidin-3-yl)methyl]-2-methylbenzamide (CID 71660278) is N-[(1-benzhydrylazetidin-3-yl)methyl]-2-methylbenzamide.
What is the SMILES notation for N-[(1-benzhydrylazetidin-3-yl)methyl]-2-methylbenzamide?
The canonical SMILES for N-[(1-benzhydrylazetidin-3-yl)methyl]-2-methylbenzamide is Cc1ccccc1C(=O)NCC1CN(C(c2ccccc2)c2ccccc2)C1.
What is the InChIKey of N-[(1-benzhydrylazetidin-3-yl)methyl]-2-methylbenzamide?
The InChIKey is KCKGAICFNYCLQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O/c1-19-10-8-9-15-23(19)25(28)26-16-20-17-27(18-20)24(21-11-4-2-5-12-21)22-13-6-3-7-14-22/h2-15,20,24H,16-18H2,1H3,(H,26,28).
What are the key properties of N-[(1-benzhydrylazetidin-3-yl)methyl]-2-methylbenzamide?
N-[(1-benzhydrylazetidin-3-yl)methyl]-2-methylbenzamide has a molecular weight of 370.50 g/mol, XLogP of 4.45, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzhydrylazetidin-3-yl)methyl]-2-methylbenzamide is sourced from PubChem (CID 71660278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).