(dicyclohexylamino) 2,2-diphenyl-2-(pyridin-2-ylmethylamino)acetate

C32H39N3O2 — CID 175104669

IUPAC(dicyclohexylamino) 2,2-diphenyl-2-(pyridin-2-ylmethylamino)acetate
SMILESO=C(ON(C1CCCCC1)C1CCCCC1)C(NCc1ccccn1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C32H39N3O2/c36-31(37-35(29-20-9-3-10-21-29)30-22-11-4-12-23-30)32(26-15-5-1-6-16-26,27-17-7-2-8-18-27)34-25-28-19-13-14-24-33-28/h1-2,5-8,13-19,24,29-30,34H,3-4,9-12,20-23,25H2
InChIKeyYRSCOZYVGQWOSP-UHFFFAOYSA-N
MW497.68 g/mol
LogP6.54
Rot. Bonds9

About (dicyclohexylamino) 2,2-diphenyl-2-(pyridin-2-ylmethylamino)acetate

(dicyclohexylamino) 2,2-diphenyl-2-(pyridin-2-ylmethylamino)acetate (PubChem CID 175104669) has the molecular formula C32H39N3O2 and a molecular weight of 497.68 g/mol. Its IUPAC name is (dicyclohexylamino) 2,2-diphenyl-2-(pyridin-2-ylmethylamino)acetate.

Molecular Properties

Compound Name(dicyclohexylamino) 2,2-diphenyl-2-(pyridin-2-ylmethylamino)acetate
PubChem CID175104669
Molecular FormulaC32H39N3O2
Molecular Weight497.68 g/mol
Exact Mass497.30
IUPAC Name(dicyclohexylamino) 2,2-diphenyl-2-(pyridin-2-ylmethylamino)acetate
SMILESO=C(ON(C1CCCCC1)C1CCCCC1)C(NCc1ccccn1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C32H39N3O2/c36-31(37-35(29-20-9-3-10-21-29)30-22-11-4-12-23-30)32(26-15-5-1-6-16-26,27-17-7-2-8-18-27)34-25-28-19-13-14-24-33-28/h1-2,5-8,13-19,24,29-30,34H,3-4,9-12,20-23,25H2
InChIKeyYRSCOZYVGQWOSP-UHFFFAOYSA-N
XLogP6.54
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.68
LogP ≤ 56.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methyl 2,2-diphenyl-2-(pyridin-2-ylmethylamino)acetate
CID 162399408
oxalic acid;N-(pyridin-2-ylmethyl)cyclopentanamine
CID 17052919
N'-cyclohexyl-N-(pyridin-2-ylmethyl)oxamide
CID 2844203
2-[cycloheptyl(methylsulfonyl)amino]-N-(pyridin-2-ylmethyl)acetamide
CID 113153062
trans-(1S,2S)-2-(pyridin-2-ylmethylamino)cyclopentan-1-ol
CID 93317323
cis-(1S,2R)-2-(pyridin-2-ylmethylamino)cyclohexan-1-ol
CID 93317478
trans-(1R,2R)-2-(pyridin-2-ylmethylamino)cyclohexan-1-ol
CID 93317480
2-[cyclopentyl(2-pyridin-2-ylethyl)amino]acetic acid
CID 60892049
N-cyclohexyl-N-(2-hydroxyethyl)-2-pyridin-2-ylacetamide
CID 54994483
2-[(4-chlorophenyl)sulfonyl-cyclohexylamino]-N-(pyridin-2-ylmethyl)acetamide
CID 1079970
3-(cycloheptylamino)-N-(pyridin-2-ylmethyl)propanamide
CID 109023192
trans-(1R,2R)-1-N,2-N-bis(pyridin-2-ylmethyl)cyclohexane-1,2-diamine
CID 25052289

Frequently Asked Questions

What is the IUPAC name of (dicyclohexylamino) 2,2-diphenyl-2-(pyridin-2-ylmethylamino)acetate?
The IUPAC name of (dicyclohexylamino) 2,2-diphenyl-2-(pyridin-2-ylmethylamino)acetate (CID 175104669) is (dicyclohexylamino) 2,2-diphenyl-2-(pyridin-2-ylmethylamino)acetate.
What is the SMILES notation for (dicyclohexylamino) 2,2-diphenyl-2-(pyridin-2-ylmethylamino)acetate?
The canonical SMILES for (dicyclohexylamino) 2,2-diphenyl-2-(pyridin-2-ylmethylamino)acetate is O=C(ON(C1CCCCC1)C1CCCCC1)C(NCc1ccccn1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (dicyclohexylamino) 2,2-diphenyl-2-(pyridin-2-ylmethylamino)acetate?
The InChIKey is YRSCOZYVGQWOSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H39N3O2/c36-31(37-35(29-20-9-3-10-21-29)30-22-11-4-12-23-30)32(26-15-5-1-6-16-26,27-17-7-2-8-18-27)34-25-28-19-13-14-24-33-28/h1-2,5-8,13-19,24,29-30,34H,3-4,9-12,20-23,25H2.
What are the key properties of (dicyclohexylamino) 2,2-diphenyl-2-(pyridin-2-ylmethylamino)acetate?
(dicyclohexylamino) 2,2-diphenyl-2-(pyridin-2-ylmethylamino)acetate has a molecular weight of 497.68 g/mol, XLogP of 6.54, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (dicyclohexylamino) 2,2-diphenyl-2-(pyridin-2-ylmethylamino)acetate is sourced from PubChem (CID 175104669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).