4-amino-3-hydroxy-N-(2-hydroxy-1-phenyl-2,2-dipyridin-3-ylethyl)-2-(2-phenylethyl)butanamide

C30H32N4O3 — CID 70796512

IUPAC4-amino-3-hydroxy-N-(2-hydroxy-1-phenyl-2,2-dipyridin-3-ylethyl)-2-(2-phenylethyl)butanamide
SMILESNCC(O)C(CCc1ccccc1)C(=O)NC(c1ccccc1)C(O)(c1cccnc1)c1cccnc1
InChIInChI=1S/C30H32N4O3/c31-19-27(35)26(16-15-22-9-3-1-4-10-22)29(36)34-28(23-11-5-2-6-12-23)30(37,24-13-7-17-32-20-24)25-14-8-18-33-21-25/h1-14,17-18,20-21,26-28,35,37H,15-16,19,31H2,(H,34,36)
InChIKeyNDFUCTRJBIPBLN-UHFFFAOYSA-N
MW496.61 g/mol
LogP3.14
Rot. Bonds11

About 4-amino-3-hydroxy-N-(2-hydroxy-1-phenyl-2,2-dipyridin-3-ylethyl)-2-(2-phenylethyl)butanamide

4-amino-3-hydroxy-N-(2-hydroxy-1-phenyl-2,2-dipyridin-3-ylethyl)-2-(2-phenylethyl)butanamide (PubChem CID 70796512) has the molecular formula C30H32N4O3 and a molecular weight of 496.61 g/mol. Its IUPAC name is 4-amino-3-hydroxy-N-(2-hydroxy-1-phenyl-2,2-dipyridin-3-ylethyl)-2-(2-phenylethyl)butanamide.

Molecular Properties

Compound Name4-amino-3-hydroxy-N-(2-hydroxy-1-phenyl-2,2-dipyridin-3-ylethyl)-2-(2-phenylethyl)butanamide
PubChem CID70796512
Molecular FormulaC30H32N4O3
Molecular Weight496.61 g/mol
Exact Mass496.25
IUPAC Name4-amino-3-hydroxy-N-(2-hydroxy-1-phenyl-2,2-dipyridin-3-ylethyl)-2-(2-phenylethyl)butanamide
SMILESNCC(O)C(CCc1ccccc1)C(=O)NC(c1ccccc1)C(O)(c1cccnc1)c1cccnc1
InChIInChI=1S/C30H32N4O3/c31-19-27(35)26(16-15-22-9-3-1-4-10-22)29(36)34-28(23-11-5-2-6-12-23)30(37,24-13-7-17-32-20-24)25-14-8-18-33-21-25/h1-14,17-18,20-21,26-28,35,37H,15-16,19,31H2,(H,34,36)
InChIKeyNDFUCTRJBIPBLN-UHFFFAOYSA-N
XLogP3.14
TPSA121.36 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.61
LogP ≤ 53.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 4-amino-3-hydroxy-N-(2-hydroxy-1-phenyl-2,2-dipyridin-3-ylethyl)-2-(2-phenylethyl)butanamide with MolForge

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Related Compounds

methyl N-[(2S)-1-[[(1R)-2-hydroxy-1-phenyl-2,2-dipyridin-3-ylethyl]amino]-1-oxo-4-phenylbutan-2-yl]methanimidate
CID 59706143
tert-butyl N-[(2S)-1-[[(1R)-2-hydroxy-1-phenyl-2,2-dipyridin-3-ylethyl]amino]-1-oxo-4-phenylbutan-2-yl]carbamate
CID 59706147
butyl N-[1-[(2-hydroxy-1-phenyl-2,2-dipyridin-3-ylethyl)amino]-1-oxo-4-phenylbutan-2-yl]carbamate
CID 70796481
2,2,2-trifluoro-N-[(1R)-2-hydroxy-1-phenyl-2,2-dipyridin-3-ylethyl]acetamide
CID 87216450
N-[(1R)-2-hydroxy-1-phenyl-2,2-dipyridin-3-ylethyl]-2-phenylmethoxyacetamide
CID 57425636
N-[(1R)-1-(4-fluorophenyl)-2-hydroxy-2,2-dipyridin-3-ylethyl]-4-phenylbutanamide
CID 57425638
N-[2-[[(1R)-2-hydroxy-1-phenyl-2,2-dipyridin-3-ylethyl]amino]-2-oxoethyl]benzamide
CID 69101909
2-(ethylamino)-2-phenyl-1,1-dipyridin-3-ylethanol
CID 66962752
(2S)-2-amino-N-[(1S)-2-hydroxy-1,2,2-triphenylethyl]-3-phenylpropanamide
CID 122228093
trans-(1R,2R)-N-[(1R)-2-hydroxy-1-phenyl-2,2-dipyridin-3-ylethyl]-2-phenylcyclopropane-1-carboxamide
CID 66962407
2-(1,3-benzothiazol-2-ylsulfanyl)-N-(2-hydroxy-1-phenyl-2,2-dipyridin-3-ylethyl)acetamide
CID 72986960
N-(2-hydroxy-1-phenyl-2,2-dipyridin-3-ylethyl)-3-methoxybenzamide
CID 77212044

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-hydroxy-N-(2-hydroxy-1-phenyl-2,2-dipyridin-3-ylethyl)-2-(2-phenylethyl)butanamide?
The IUPAC name of 4-amino-3-hydroxy-N-(2-hydroxy-1-phenyl-2,2-dipyridin-3-ylethyl)-2-(2-phenylethyl)butanamide (CID 70796512) is 4-amino-3-hydroxy-N-(2-hydroxy-1-phenyl-2,2-dipyridin-3-ylethyl)-2-(2-phenylethyl)butanamide.
What is the SMILES notation for 4-amino-3-hydroxy-N-(2-hydroxy-1-phenyl-2,2-dipyridin-3-ylethyl)-2-(2-phenylethyl)butanamide?
The canonical SMILES for 4-amino-3-hydroxy-N-(2-hydroxy-1-phenyl-2,2-dipyridin-3-ylethyl)-2-(2-phenylethyl)butanamide is NCC(O)C(CCc1ccccc1)C(=O)NC(c1ccccc1)C(O)(c1cccnc1)c1cccnc1.
What is the InChIKey of 4-amino-3-hydroxy-N-(2-hydroxy-1-phenyl-2,2-dipyridin-3-ylethyl)-2-(2-phenylethyl)butanamide?
The InChIKey is NDFUCTRJBIPBLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N4O3/c31-19-27(35)26(16-15-22-9-3-1-4-10-22)29(36)34-28(23-11-5-2-6-12-23)30(37,24-13-7-17-32-20-24)25-14-8-18-33-21-25/h1-14,17-18,20-21,26-28,35,37H,15-16,19,31H2,(H,34,36).
What are the key properties of 4-amino-3-hydroxy-N-(2-hydroxy-1-phenyl-2,2-dipyridin-3-ylethyl)-2-(2-phenylethyl)butanamide?
4-amino-3-hydroxy-N-(2-hydroxy-1-phenyl-2,2-dipyridin-3-ylethyl)-2-(2-phenylethyl)butanamide has a molecular weight of 496.61 g/mol, XLogP of 3.14, 11 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-hydroxy-N-(2-hydroxy-1-phenyl-2,2-dipyridin-3-ylethyl)-2-(2-phenylethyl)butanamide is sourced from PubChem (CID 70796512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).