2-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]acetamide;2-[2-[[[2-(4-methoxyphenyl)acetyl]amino]methyl]phenyl]-N-(2-pyridin-3-ylethyl)benzamide

C44H51N5O6 — CID 11262730

IUPAC2-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]acetamide;2-[2-[[[2-(4-methoxyphenyl)acetyl]amino]methyl]phenyl]-N-(2-pyridin-3-ylethyl)benzamide
SMILESCC(C)NCC(O)COc1ccc(CC(N)=O)cc1.COc1ccc(CC(=O)NCc2ccccc2-c2ccccc2C(=O)NCCc2cccnc2)cc1
InChIInChI=1S/C30H29N3O3.C14H22N2O3/c1-36-25-14-12-22(13-15-25)19-29(34)33-21-24-8-2-3-9-26(24)27-10-4-5-11-28(27)30(35)32-18-16-23-7-6-17-31-20-23;1-10(2)16-8-12(17)9-19-13-5-3-11(4-6-13)7-14(15)18/h2-15,17,20H,16,18-19,21H2,1H3,(H,32,35)(H,33,34);3-6,10,12,16-17H,7-9H2,1-2H3,(H2,15,18)
InChIKeyZSNKNMULBKSJSP-UHFFFAOYSA-N
MW745.92 g/mol
LogP5.04
Rot. Bonds18

About 2-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]acetamide;2-[2-[[[2-(4-methoxyphenyl)acetyl]amino]methyl]phenyl]-N-(2-pyridin-3-ylethyl)benzamide

2-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]acetamide;2-[2-[[[2-(4-methoxyphenyl)acetyl]amino]methyl]phenyl]-N-(2-pyridin-3-ylethyl)benzamide (PubChem CID 11262730) has the molecular formula C44H51N5O6 and a molecular weight of 745.92 g/mol. Its IUPAC name is 2-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]acetamide;2-[2-[[[2-(4-methoxyphenyl)acetyl]amino]methyl]phenyl]-N-(2-pyridin-3-ylethyl)benzamide.

Molecular Properties

Compound Name2-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]acetamide;2-[2-[[[2-(4-methoxyphenyl)acetyl]amino]methyl]phenyl]-N-(2-pyridin-3-ylethyl)benzamide
PubChem CID11262730
Molecular FormulaC44H51N5O6
Molecular Weight745.92 g/mol
Exact Mass745.38
IUPAC Name2-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]acetamide;2-[2-[[[2-(4-methoxyphenyl)acetyl]amino]methyl]phenyl]-N-(2-pyridin-3-ylethyl)benzamide
SMILESCC(C)NCC(O)COc1ccc(CC(N)=O)cc1.COc1ccc(CC(=O)NCc2ccccc2-c2ccccc2C(=O)NCCc2cccnc2)cc1
InChIInChI=1S/C30H29N3O3.C14H22N2O3/c1-36-25-14-12-22(13-15-25)19-29(34)33-21-24-8-2-3-9-26(24)27-10-4-5-11-28(27)30(35)32-18-16-23-7-6-17-31-20-23;1-10(2)16-8-12(17)9-19-13-5-3-11(4-6-13)7-14(15)18/h2-15,17,20H,16,18-19,21H2,1H3,(H,32,35)(H,33,34);3-6,10,12,16-17H,7-9H2,1-2H3,(H2,15,18)
InChIKeyZSNKNMULBKSJSP-UHFFFAOYSA-N
XLogP5.04
TPSA164.90 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds18
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500745.92
LogP ≤ 55.04
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Analyze 2-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]acetamide;2-[2-[[[2-(4-methoxyphenyl)acetyl]amino]methyl]phenyl]-N-(2-pyridin-3-ylethyl)benzamide with MolForge

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Related Compounds

1-(propan-2-ylamino)-3-[4-[(2-pyridin-3-ylethylamino)methyl]phenoxy]propan-2-ol
CID 146141767
N-benzyl-2-[2-[[[2-(4-methoxyphenyl)acetyl]amino]methyl]phenyl]benzamide;2-[2-[[3-(4-ethoxyphenyl)propanoylamino]methyl]phenyl]-N-(2-pyridin-2-ylethyl)benzamide;bis(2-[2-[[[2-(4-methoxyphenyl)acetyl]amino]methyl]phenyl]-N-(2-phenylethyl)benzamide);2-[2-[[[2-(4-methoxyphenyl)acetyl]amino]methyl]phenyl]-N-(pyridin-2-ylmethyl)benzamide
CID 123600471
2-(4-methoxyphenyl)-N-(3-pyridin-3-ylpropyl)acetamide
CID 110400247
2-[2-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]acetamide
CID 21397664
N-(pyridin-3-ylmethyl)-2-[2-(pyridin-3-ylmethylcarbamoyl)phenyl]benzamide
CID 1279662
2-[(4-methoxyphenyl)methyl-(2-phenoxyacetyl)amino]-N-(pyridin-3-ylmethyl)propanamide
CID 133213694
tert-butyl N-[[2-[2-(benzylcarbamoyl)phenyl]phenyl]methyl]carbamate;tert-butyl N-[[2-[2-[(4-ethylphenyl)carbamoyl]phenyl]phenyl]methyl]carbamate;tert-butyl N-[[2-[2-(2-phenylethylcarbamoyl)phenyl]phenyl]methyl]carbamate;tert-butyl N-[[2-[2-(2-pyridin-3-ylethylcarbamoyl)phenyl]phenyl]methyl]carbamate;tert-butyl N-[[2-[2-(pyridin-2-ylmethylcarbamoyl)phenyl]phenyl]methyl]carbamate
CID 91582619
2-[[2-hydroxy-3-(4-methoxyphenoxy)propyl]carbamoyl]benzoic acid
CID 2812098
ethyl 2-[4-[(2S)-2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]acetate
CID 93090283
(2R)-1-phenoxy-3-(propan-2-ylamino)propan-2-ol
CID 843464
2-(2-aminophenyl)-N-(2-pyridin-3-ylethyl)acetamide
CID 60895368
2-amino-N-(2-pyridin-3-ylethyl)pyridine-3-carboxamide
CID 62072665

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]acetamide;2-[2-[[[2-(4-methoxyphenyl)acetyl]amino]methyl]phenyl]-N-(2-pyridin-3-ylethyl)benzamide?
The IUPAC name of 2-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]acetamide;2-[2-[[[2-(4-methoxyphenyl)acetyl]amino]methyl]phenyl]-N-(2-pyridin-3-ylethyl)benzamide (CID 11262730) is 2-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]acetamide;2-[2-[[[2-(4-methoxyphenyl)acetyl]amino]methyl]phenyl]-N-(2-pyridin-3-ylethyl)benzamide.
What is the SMILES notation for 2-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]acetamide;2-[2-[[[2-(4-methoxyphenyl)acetyl]amino]methyl]phenyl]-N-(2-pyridin-3-ylethyl)benzamide?
The canonical SMILES for 2-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]acetamide;2-[2-[[[2-(4-methoxyphenyl)acetyl]amino]methyl]phenyl]-N-(2-pyridin-3-ylethyl)benzamide is CC(C)NCC(O)COc1ccc(CC(N)=O)cc1.COc1ccc(CC(=O)NCc2ccccc2-c2ccccc2C(=O)NCCc2cccnc2)cc1.
What is the InChIKey of 2-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]acetamide;2-[2-[[[2-(4-methoxyphenyl)acetyl]amino]methyl]phenyl]-N-(2-pyridin-3-ylethyl)benzamide?
The InChIKey is ZSNKNMULBKSJSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29N3O3.C14H22N2O3/c1-36-25-14-12-22(13-15-25)19-29(34)33-21-24-8-2-3-9-26(24)27-10-4-5-11-28(27)30(35)32-18-16-23-7-6-17-31-20-23;1-10(2)16-8-12(17)9-19-13-5-3-11(4-6-13)7-14(15)18/h2-15,17,20H,16,18-19,21H2,1H3,(H,32,35)(H,33,34);3-6,10,12,16-17H,7-9H2,1-2H3,(H2,15,18).
What are the key properties of 2-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]acetamide;2-[2-[[[2-(4-methoxyphenyl)acetyl]amino]methyl]phenyl]-N-(2-pyridin-3-ylethyl)benzamide?
2-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]acetamide;2-[2-[[[2-(4-methoxyphenyl)acetyl]amino]methyl]phenyl]-N-(2-pyridin-3-ylethyl)benzamide has a molecular weight of 745.92 g/mol, XLogP of 5.04, 18 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]acetamide;2-[2-[[[2-(4-methoxyphenyl)acetyl]amino]methyl]phenyl]-N-(2-pyridin-3-ylethyl)benzamide is sourced from PubChem (CID 11262730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).