N-benzyl-4-(2-cyanophenyl)-N-(oxolan-2-ylmethyl)benzamide

C26H24N2O2 — CID 44571488

IUPACN-benzyl-4-(2-cyanophenyl)-N-(oxolan-2-ylmethyl)benzamide
SMILESN#Cc1ccccc1-c1ccc(C(=O)N(Cc2ccccc2)CC2CCCO2)cc1
InChIInChI=1S/C26H24N2O2/c27-17-23-9-4-5-11-25(23)21-12-14-22(15-13-21)26(29)28(19-24-10-6-16-30-24)18-20-7-2-1-3-8-20/h1-5,7-9,11-15,24H,6,10,16,18-19H2
InChIKeyUBAGSUZMCMXWLJ-UHFFFAOYSA-N
MW396.49 g/mol
LogP5.05
Rot. Bonds6

About N-benzyl-4-(2-cyanophenyl)-N-(oxolan-2-ylmethyl)benzamide

N-benzyl-4-(2-cyanophenyl)-N-(oxolan-2-ylmethyl)benzamide (PubChem CID 44571488) has the molecular formula C26H24N2O2 and a molecular weight of 396.49 g/mol. Its IUPAC name is N-benzyl-4-(2-cyanophenyl)-N-(oxolan-2-ylmethyl)benzamide.

Molecular Properties

Compound NameN-benzyl-4-(2-cyanophenyl)-N-(oxolan-2-ylmethyl)benzamide
PubChem CID44571488
Molecular FormulaC26H24N2O2
Molecular Weight396.49 g/mol
Exact Mass396.18
IUPAC NameN-benzyl-4-(2-cyanophenyl)-N-(oxolan-2-ylmethyl)benzamide
SMILESN#Cc1ccccc1-c1ccc(C(=O)N(Cc2ccccc2)CC2CCCO2)cc1
InChIInChI=1S/C26H24N2O2/c27-17-23-9-4-5-11-25(23)21-12-14-22(15-13-21)26(29)28(19-24-10-6-16-30-24)18-20-7-2-1-3-8-20/h1-5,7-9,11-15,24H,6,10,16,18-19H2
InChIKeyUBAGSUZMCMXWLJ-UHFFFAOYSA-N
XLogP5.05
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.49
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(cyclopropylmethyl)-3-methyl-N-(oxolan-2-ylmethyl)-4-phenylbenzamide
CID 42611262
4-[4-(Oxolane-2-carbonyl)piperazine-1-carbonyl]benzonitrile
CID 16276671
N-(cyclopropylmethyl)-N-(tetrahydro-2-furanylmethyl)[1,1'-biphenyl]-4-carboxamide
CID 4017619
N-benzyl-4-(4-fluoro-2-methylphenyl)-N-(oxolan-2-ylmethyl)benzamide
CID 44571386
N-benzyl-2-methyl-N-(oxolan-2-ylmethyl)-4-phenylbenzamide
CID 44571388
N-(cyclopropylmethyl)-4-(4-fluoro-2-methylphenyl)-N-(oxolan-2-ylmethyl)benzamide
CID 44571491
N-(cyclopropylmethyl)-2-methyl-N-(oxolan-2-ylmethyl)-4-phenylbenzamide
CID 44572048
N-benzyl-3-methyl-N-(oxolan-2-ylmethyl)-4-phenylbenzamide
CID 44572107
US10723742, Example 71
CID 155883758
4-Biphenylyl[2-(4-morpholinylcarbonyl)phenyl]methanone
CID 2232943
6-((tetrahydrofuran-2-yl)methyl)-5H-dibenzo[c,e]azepine-5,7(6H)-dione
CID 2882880
Oxolan-2-yl-[4-(4-phenylbenzoyl)piperazin-1-yl]methanone
CID 4782471

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-(2-cyanophenyl)-N-(oxolan-2-ylmethyl)benzamide?
The IUPAC name of N-benzyl-4-(2-cyanophenyl)-N-(oxolan-2-ylmethyl)benzamide (CID 44571488) is N-benzyl-4-(2-cyanophenyl)-N-(oxolan-2-ylmethyl)benzamide.
What is the SMILES notation for N-benzyl-4-(2-cyanophenyl)-N-(oxolan-2-ylmethyl)benzamide?
The canonical SMILES for N-benzyl-4-(2-cyanophenyl)-N-(oxolan-2-ylmethyl)benzamide is N#Cc1ccccc1-c1ccc(C(=O)N(Cc2ccccc2)CC2CCCO2)cc1.
What is the InChIKey of N-benzyl-4-(2-cyanophenyl)-N-(oxolan-2-ylmethyl)benzamide?
The InChIKey is UBAGSUZMCMXWLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O2/c27-17-23-9-4-5-11-25(23)21-12-14-22(15-13-21)26(29)28(19-24-10-6-16-30-24)18-20-7-2-1-3-8-20/h1-5,7-9,11-15,24H,6,10,16,18-19H2.
What are the key properties of N-benzyl-4-(2-cyanophenyl)-N-(oxolan-2-ylmethyl)benzamide?
N-benzyl-4-(2-cyanophenyl)-N-(oxolan-2-ylmethyl)benzamide has a molecular weight of 396.49 g/mol, XLogP of 5.05, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-(2-cyanophenyl)-N-(oxolan-2-ylmethyl)benzamide is sourced from PubChem (CID 44571488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).