N-benzyl-2-methyl-N-(oxolan-2-ylmethyl)-4-phenylbenzamide

C26H27NO2 — CID 44571388

IUPACN-benzyl-2-methyl-N-(oxolan-2-ylmethyl)-4-phenylbenzamide
SMILESCc1cc(-c2ccccc2)ccc1C(=O)N(Cc1ccccc1)CC1CCCO1
InChIInChI=1S/C26H27NO2/c1-20-17-23(22-11-6-3-7-12-22)14-15-25(20)26(28)27(19-24-13-8-16-29-24)18-21-9-4-2-5-10-21/h2-7,9-12,14-15,17,24H,8,13,16,18-19H2,1H3
InChIKeyXAROWCRTGOITNW-UHFFFAOYSA-N
MW385.51 g/mol
LogP5.48
Rot. Bonds6

About N-benzyl-2-methyl-N-(oxolan-2-ylmethyl)-4-phenylbenzamide

N-benzyl-2-methyl-N-(oxolan-2-ylmethyl)-4-phenylbenzamide (PubChem CID 44571388) has the molecular formula C26H27NO2 and a molecular weight of 385.51 g/mol. Its IUPAC name is N-benzyl-2-methyl-N-(oxolan-2-ylmethyl)-4-phenylbenzamide.

Molecular Properties

Compound NameN-benzyl-2-methyl-N-(oxolan-2-ylmethyl)-4-phenylbenzamide
PubChem CID44571388
Molecular FormulaC26H27NO2
Molecular Weight385.51 g/mol
Exact Mass385.20
IUPAC NameN-benzyl-2-methyl-N-(oxolan-2-ylmethyl)-4-phenylbenzamide
SMILESCc1cc(-c2ccccc2)ccc1C(=O)N(Cc1ccccc1)CC1CCCO1
InChIInChI=1S/C26H27NO2/c1-20-17-23(22-11-6-3-7-12-22)14-15-25(20)26(28)27(19-24-13-8-16-29-24)18-21-9-4-2-5-10-21/h2-7,9-12,14-15,17,24H,8,13,16,18-19H2,1H3
InChIKeyXAROWCRTGOITNW-UHFFFAOYSA-N
XLogP5.48
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.51
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-methyl-N-(oxolan-2-ylmethyl)-4-phenylbenzamide?
The IUPAC name of N-benzyl-2-methyl-N-(oxolan-2-ylmethyl)-4-phenylbenzamide (CID 44571388) is N-benzyl-2-methyl-N-(oxolan-2-ylmethyl)-4-phenylbenzamide.
What is the SMILES notation for N-benzyl-2-methyl-N-(oxolan-2-ylmethyl)-4-phenylbenzamide?
The canonical SMILES for N-benzyl-2-methyl-N-(oxolan-2-ylmethyl)-4-phenylbenzamide is Cc1cc(-c2ccccc2)ccc1C(=O)N(Cc1ccccc1)CC1CCCO1.
What is the InChIKey of N-benzyl-2-methyl-N-(oxolan-2-ylmethyl)-4-phenylbenzamide?
The InChIKey is XAROWCRTGOITNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27NO2/c1-20-17-23(22-11-6-3-7-12-22)14-15-25(20)26(28)27(19-24-13-8-16-29-24)18-21-9-4-2-5-10-21/h2-7,9-12,14-15,17,24H,8,13,16,18-19H2,1H3.
What are the key properties of N-benzyl-2-methyl-N-(oxolan-2-ylmethyl)-4-phenylbenzamide?
N-benzyl-2-methyl-N-(oxolan-2-ylmethyl)-4-phenylbenzamide has a molecular weight of 385.51 g/mol, XLogP of 5.48, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-methyl-N-(oxolan-2-ylmethyl)-4-phenylbenzamide is sourced from PubChem (CID 44571388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).