N-[2-(tritylamino)cyclohexyl]benzamide

C32H32N2O — CID 71814998

IUPACN-[2-(tritylamino)cyclohexyl]benzamide
SMILESO=C(NC1CCCCC1NC(c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C32H32N2O/c35-31(25-15-5-1-6-16-25)33-29-23-13-14-24-30(29)34-32(26-17-7-2-8-18-26,27-19-9-3-10-20-27)28-21-11-4-12-22-28/h1-12,15-22,29-30,34H,13-14,23-24H2,(H,33,35)
InChIKeyNMWXDNJTUUEJTM-UHFFFAOYSA-N
MW460.62 g/mol
LogP6.31
Rot. Bonds7

About N-[2-(tritylamino)cyclohexyl]benzamide

N-[2-(tritylamino)cyclohexyl]benzamide (PubChem CID 71814998) has the molecular formula C32H32N2O and a molecular weight of 460.62 g/mol. Its IUPAC name is N-[2-(tritylamino)cyclohexyl]benzamide.

Molecular Properties

Compound NameN-[2-(tritylamino)cyclohexyl]benzamide
PubChem CID71814998
Molecular FormulaC32H32N2O
Molecular Weight460.62 g/mol
Exact Mass460.25
IUPAC NameN-[2-(tritylamino)cyclohexyl]benzamide
SMILESO=C(NC1CCCCC1NC(c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C32H32N2O/c35-31(25-15-5-1-6-16-25)33-29-23-13-14-24-30(29)34-32(26-17-7-2-8-18-26,27-19-9-3-10-20-27)28-21-11-4-12-22-28/h1-12,15-22,29-30,34H,13-14,23-24H2,(H,33,35)
InChIKeyNMWXDNJTUUEJTM-UHFFFAOYSA-N
XLogP6.31
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.62
LogP ≤ 56.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

N-(2-benzamidocyclobutyl)benzamide
CID 58037122
N-[(1R)-2-methylcyclohexyl]benzamide
CID 137472316
N-[(1S,2R)-2-aminocyclohexyl]benzamide
CID 15151854
N-[(1S,2S)-2-aminocyclohexyl]benzamide
CID 15151853
4-tert-butyl-N-[(1R,2S)-2-[(4-tert-butylbenzoyl)amino]cyclohexyl]benzamide
CID 7311333
N-[(1R,2R)-2-hydroxycyclopentyl]benzamide
CID 36691439
N-[2-(hydroxymethyl)cyclohexyl]benzamide
CID 85447885
2-benzamidocyclopentane-1-carboxylic acid
CID 64812220
N-[(1R,2R)-2-bromocyclopentyl]benzamide
CID 135010678
2-(tritylamino)-N-[(1S,2S)-2-[[2-(tritylamino)acetyl]amino]cyclohexyl]acetamide
CID 96582243
N-[(1R,2R)-2-cyanocyclohexyl]benzamide
CID 10656966
N-[(1R,2R)-2-diphenoxyphosphorylcyclohexyl]benzamide
CID 102308889

Frequently Asked Questions

What is the IUPAC name of N-[2-(tritylamino)cyclohexyl]benzamide?
The IUPAC name of N-[2-(tritylamino)cyclohexyl]benzamide (CID 71814998) is N-[2-(tritylamino)cyclohexyl]benzamide.
What is the SMILES notation for N-[2-(tritylamino)cyclohexyl]benzamide?
The canonical SMILES for N-[2-(tritylamino)cyclohexyl]benzamide is O=C(NC1CCCCC1NC(c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1.
What is the InChIKey of N-[2-(tritylamino)cyclohexyl]benzamide?
The InChIKey is NMWXDNJTUUEJTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32N2O/c35-31(25-15-5-1-6-16-25)33-29-23-13-14-24-30(29)34-32(26-17-7-2-8-18-26,27-19-9-3-10-20-27)28-21-11-4-12-22-28/h1-12,15-22,29-30,34H,13-14,23-24H2,(H,33,35).
What are the key properties of N-[2-(tritylamino)cyclohexyl]benzamide?
N-[2-(tritylamino)cyclohexyl]benzamide has a molecular weight of 460.62 g/mol, XLogP of 6.31, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(tritylamino)cyclohexyl]benzamide is sourced from PubChem (CID 71814998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).