N-benzyl-3-methyl-N-(oxolan-2-ylmethyl)-4-phenylbenzamide

C26H27NO2 — CID 44572107

IUPACN-benzyl-3-methyl-N-(oxolan-2-ylmethyl)-4-phenylbenzamide
SMILESCc1cc(C(=O)N(Cc2ccccc2)CC2CCCO2)ccc1-c1ccccc1
InChIInChI=1S/C26H27NO2/c1-20-17-23(14-15-25(20)22-11-6-3-7-12-22)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
InChIKeyFARYFPAIAGOBBI-UHFFFAOYSA-N
MW385.51 g/mol
LogP5.48
Rot. Bonds6

About N-benzyl-3-methyl-N-(oxolan-2-ylmethyl)-4-phenylbenzamide

N-benzyl-3-methyl-N-(oxolan-2-ylmethyl)-4-phenylbenzamide (PubChem CID 44572107) has the molecular formula C26H27NO2 and a molecular weight of 385.51 g/mol. Its IUPAC name is N-benzyl-3-methyl-N-(oxolan-2-ylmethyl)-4-phenylbenzamide.

Molecular Properties

Compound NameN-benzyl-3-methyl-N-(oxolan-2-ylmethyl)-4-phenylbenzamide
PubChem CID44572107
Molecular FormulaC26H27NO2
Molecular Weight385.51 g/mol
Exact Mass385.20
IUPAC NameN-benzyl-3-methyl-N-(oxolan-2-ylmethyl)-4-phenylbenzamide
SMILESCc1cc(C(=O)N(Cc2ccccc2)CC2CCCO2)ccc1-c1ccccc1
InChIInChI=1S/C26H27NO2/c1-20-17-23(14-15-25(20)22-11-6-3-7-12-22)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
InChIKeyFARYFPAIAGOBBI-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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Related Compounds

Morpholine, 4-(o-benzoylbenzoyl)
CID 208217
N-(cyclopropylmethyl)-3-methyl-N-(oxolan-2-ylmethyl)-4-phenylbenzamide
CID 42611262
Benzamide, N-tetrahydrofurfuryl-3-methyl-
CID 531960
N-(Tetrahydro-2-furanylmethyl)-1-naphthamide
CID 2932372
(2,5-Dihydro-1h-Pyrrol-1-Yl)(2',6-Dimethyl[1,1'-Biphenyl]-3-Yl)methanone
CID 119057480
2-(2-Oxolanylmethyl)benzo[de]isoquinoline-1,3-dione
CID 305330
N-cyclopropyl-3-fluoro-4-methyl-5-[4-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide
CID 44480181
N-[(1-benzylpiperidin-3-yl)methyl]-N-(2-methoxyethyl)naphthalene-2-carboxamide
CID 137635625
N-[(1-benzylpiperidin-4-yl)methyl]-N-(2-methoxyethyl)naphthalene-2-carboxamide
CID 137651676
Acenaphthen-5-yl-morpholin-4-yl-methanone
CID 654754
4-[2-(2-Phenylethyl)benzoyl]morpholine
CID 1255389
N-(cyclopropylmethyl)-N-(tetrahydro-2-furanylmethyl)[1,1'-biphenyl]-4-carboxamide
CID 4017619

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-methyl-N-(oxolan-2-ylmethyl)-4-phenylbenzamide?
The IUPAC name of N-benzyl-3-methyl-N-(oxolan-2-ylmethyl)-4-phenylbenzamide (CID 44572107) is N-benzyl-3-methyl-N-(oxolan-2-ylmethyl)-4-phenylbenzamide.
What is the SMILES notation for N-benzyl-3-methyl-N-(oxolan-2-ylmethyl)-4-phenylbenzamide?
The canonical SMILES for N-benzyl-3-methyl-N-(oxolan-2-ylmethyl)-4-phenylbenzamide is Cc1cc(C(=O)N(Cc2ccccc2)CC2CCCO2)ccc1-c1ccccc1.
What is the InChIKey of N-benzyl-3-methyl-N-(oxolan-2-ylmethyl)-4-phenylbenzamide?
The InChIKey is FARYFPAIAGOBBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27NO2/c1-20-17-23(14-15-25(20)22-11-6-3-7-12-22)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-3-methyl-N-(oxolan-2-ylmethyl)-4-phenylbenzamide?
N-benzyl-3-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-3-methyl-N-(oxolan-2-ylmethyl)-4-phenylbenzamide is sourced from PubChem (CID 44572107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).