N-benzyl-4-phenyl-N-[(1S,2R)-2-phenylcyclopropyl]benzamide

C29H25NO — CID 6580975

IUPACN-benzyl-4-phenyl-N-[(1S,2R)-2-phenylcyclopropyl]benzamide
SMILESO=C(c1ccc(-c2ccccc2)cc1)N(Cc1ccccc1)[C@H]1C[C@@H]1c1ccccc1
InChIInChI=1S/C29H25NO/c31-29(26-18-16-24(17-19-26)23-12-6-2-7-13-23)30(21-22-10-4-1-5-11-22)28-20-27(28)25-14-8-3-9-15-25/h1-19,27-28H,20-21H2/t27-,28+/m1/s1
InChIKeyOYRSPUUZSADOAU-IZLXSDGUSA-N
MW403.53 g/mol
LogP6.55
Rot. Bonds6

About N-benzyl-4-phenyl-N-[(1S,2R)-2-phenylcyclopropyl]benzamide

N-benzyl-4-phenyl-N-[(1S,2R)-2-phenylcyclopropyl]benzamide (PubChem CID 6580975) has the molecular formula C29H25NO and a molecular weight of 403.53 g/mol. Its IUPAC name is N-benzyl-4-phenyl-N-[(1S,2R)-2-phenylcyclopropyl]benzamide.

Molecular Properties

Compound NameN-benzyl-4-phenyl-N-[(1S,2R)-2-phenylcyclopropyl]benzamide
PubChem CID6580975
Molecular FormulaC29H25NO
Molecular Weight403.53 g/mol
Exact Mass403.19
IUPAC NameN-benzyl-4-phenyl-N-[(1S,2R)-2-phenylcyclopropyl]benzamide
SMILESO=C(c1ccc(-c2ccccc2)cc1)N(Cc1ccccc1)[C@H]1C[C@@H]1c1ccccc1
InChIInChI=1S/C29H25NO/c31-29(26-18-16-24(17-19-26)23-12-6-2-7-13-23)30(21-22-10-4-1-5-11-22)28-20-27(28)25-14-8-3-9-15-25/h1-19,27-28H,20-21H2/t27-,28+/m1/s1
InChIKeyOYRSPUUZSADOAU-IZLXSDGUSA-N
XLogP6.55
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.53
LogP ≤ 56.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-benzyl-4-(bromomethyl)-N-cyclopropylbenzamide
CID 102850934
N-benzyl-N-(oxetan-3-yl)benzamide
CID 166264927
N-(1,3-benzodioxol-5-ylmethyl)-N-cyclopentyl-4-phenylbenzamide
CID 18281010
N-benzyl-N-cyclopropyl-4-pyrazol-1-ylbenzamide
CID 38270812
benzyl-[(1S,2S)-2-[benzyl(carboxy)amino]cyclohex-3-en-1-yl]carbamic acid
CID 122441352
1-N,4-N-dibenzyl-1-N,4-N-dihydroxybenzene-1,4-dicarboxamide
CID 20615921
N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-4-phenyl-N-(2-phenylethyl)benzamide;hydrochloride
CID 24835778
[4-[benzoyl(benzyl)amino]-1,1-dioxothiolan-3-yl] benzoate
CID 21204289
(3-methyl-1,2,4-oxadiazol-5-yl)methyl-[(1S,2S)-2-phenylcyclopropyl]carbamic acid
CID 67537467
N-(1-benzylazepan-4-yl)-4-pentyl-N-[(4-phenylphenyl)methyl]benzamide
CID 10187349
4-(dibenzylcarbamoyl)benzoic acid
CID 67563328
N-benzyl-N-cyclopropyl-4-(methanesulfonamido)benzamide
CID 38253884

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-phenyl-N-[(1S,2R)-2-phenylcyclopropyl]benzamide?
The IUPAC name of N-benzyl-4-phenyl-N-[(1S,2R)-2-phenylcyclopropyl]benzamide (CID 6580975) is N-benzyl-4-phenyl-N-[(1S,2R)-2-phenylcyclopropyl]benzamide.
What is the SMILES notation for N-benzyl-4-phenyl-N-[(1S,2R)-2-phenylcyclopropyl]benzamide?
The canonical SMILES for N-benzyl-4-phenyl-N-[(1S,2R)-2-phenylcyclopropyl]benzamide is O=C(c1ccc(-c2ccccc2)cc1)N(Cc1ccccc1)[C@H]1C[C@@H]1c1ccccc1.
What is the InChIKey of N-benzyl-4-phenyl-N-[(1S,2R)-2-phenylcyclopropyl]benzamide?
The InChIKey is OYRSPUUZSADOAU-IZLXSDGUSA-N. The full InChI is InChI=1S/C29H25NO/c31-29(26-18-16-24(17-19-26)23-12-6-2-7-13-23)30(21-22-10-4-1-5-11-22)28-20-27(28)25-14-8-3-9-15-25/h1-19,27-28H,20-21H2/t27-,28+/m1/s1.
What are the key properties of N-benzyl-4-phenyl-N-[(1S,2R)-2-phenylcyclopropyl]benzamide?
N-benzyl-4-phenyl-N-[(1S,2R)-2-phenylcyclopropyl]benzamide has a molecular weight of 403.53 g/mol, XLogP of 6.55, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-phenyl-N-[(1S,2R)-2-phenylcyclopropyl]benzamide is sourced from PubChem (CID 6580975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).