5-amino-2-benzhydryloxy-N-tert-butylbenzamide

C24H26N2O2 — CID 23019199

IUPAC5-amino-2-benzhydryloxy-N-tert-butylbenzamide
SMILESCC(C)(C)NC(=O)c1cc(N)ccc1OC(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H26N2O2/c1-24(2,3)26-23(27)20-16-19(25)14-15-21(20)28-22(17-10-6-4-7-11-17)18-12-8-5-9-13-18/h4-16,22H,25H2,1-3H3,(H,26,27)
InChIKeyXQRASPMIUJUQGW-UHFFFAOYSA-N
MW374.48 g/mol
LogP4.97
Rot. Bonds5

About 5-amino-2-benzhydryloxy-N-tert-butylbenzamide

5-amino-2-benzhydryloxy-N-tert-butylbenzamide (PubChem CID 23019199) has the molecular formula C24H26N2O2 and a molecular weight of 374.48 g/mol. Its IUPAC name is 5-amino-2-benzhydryloxy-N-tert-butylbenzamide.

Molecular Properties

Compound Name5-amino-2-benzhydryloxy-N-tert-butylbenzamide
PubChem CID23019199
Molecular FormulaC24H26N2O2
Molecular Weight374.48 g/mol
Exact Mass374.20
IUPAC Name5-amino-2-benzhydryloxy-N-tert-butylbenzamide
SMILESCC(C)(C)NC(=O)c1cc(N)ccc1OC(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H26N2O2/c1-24(2,3)26-23(27)20-16-19(25)14-15-21(20)28-22(17-10-6-4-7-11-17)18-12-8-5-9-13-18/h4-16,22H,25H2,1-3H3,(H,26,27)
InChIKeyXQRASPMIUJUQGW-UHFFFAOYSA-N
XLogP4.97
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.48
LogP ≤ 54.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-benzhydryloxy-3-methylaniline
CID 67820870
methyl 5-amino-2-(1-phenylethoxy)benzoate
CID 61306335
1-[5-amino-2-[bis(4-fluorophenyl)methoxy]phenyl]-2-methylpropan-1-one
CID 23019209
5-amino-2-methoxy-N-(2-methylbutan-2-yl)benzamide
CID 61091450
5-amino-N-[2-(tert-butylcarbamoyl)phenyl]-2-methylbenzamide
CID 120620337
1-N,2-N,4-N,5-N-tetratert-butylbenzene-1,2,4,5-tetracarboxamide
CID 141420303
N-tert-butyl-2-[(3-chlorophenyl)-(4-fluorophenyl)methoxy]-5-[[3-(hydroxymethyl)-4-methoxyphenyl]carbamoylamino]benzamide
CID 91311212
1-(5-amino-2-propan-2-yloxyphenyl)ethanone
CID 70224609
5-amino-2-(dimethylamino)-N-[(1S)-1-phenylethyl]benzamide
CID 107863882
2-(4-amino-2-methoxycarbonylphenoxy)propanoic acid
CID 106955759
2-amino-N-tert-butylquinoline-4-carboxamide
CID 62156554
N-tert-butyl-2-hydroxybenzamide
CID 139189948

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-benzhydryloxy-N-tert-butylbenzamide?
The IUPAC name of 5-amino-2-benzhydryloxy-N-tert-butylbenzamide (CID 23019199) is 5-amino-2-benzhydryloxy-N-tert-butylbenzamide.
What is the SMILES notation for 5-amino-2-benzhydryloxy-N-tert-butylbenzamide?
The canonical SMILES for 5-amino-2-benzhydryloxy-N-tert-butylbenzamide is CC(C)(C)NC(=O)c1cc(N)ccc1OC(c1ccccc1)c1ccccc1.
What is the InChIKey of 5-amino-2-benzhydryloxy-N-tert-butylbenzamide?
The InChIKey is XQRASPMIUJUQGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O2/c1-24(2,3)26-23(27)20-16-19(25)14-15-21(20)28-22(17-10-6-4-7-11-17)18-12-8-5-9-13-18/h4-16,22H,25H2,1-3H3,(H,26,27).
What are the key properties of 5-amino-2-benzhydryloxy-N-tert-butylbenzamide?
5-amino-2-benzhydryloxy-N-tert-butylbenzamide has a molecular weight of 374.48 g/mol, XLogP of 4.97, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-benzhydryloxy-N-tert-butylbenzamide is sourced from PubChem (CID 23019199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).