2-[5-[1-hydroxy-2-[[(2S)-7-(3-hydroxypropyl)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]ethyl]-2-phenylmethoxyphenyl]acetamide

C30H36N2O4 — CID 139752338

IUPAC2-[5-[1-hydroxy-2-[[(2S)-7-(3-hydroxypropyl)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]ethyl]-2-phenylmethoxyphenyl]acetamide
SMILESNC(=O)Cc1cc(C(O)CN[C@H]2CCc3ccc(CCCO)cc3C2)ccc1OCc1ccccc1
InChIInChI=1S/C30H36N2O4/c31-30(35)18-26-16-24(11-13-29(26)36-20-22-5-2-1-3-6-22)28(34)19-32-27-12-10-23-9-8-21(7-4-14-33)15-25(23)17-27/h1-3,5-6,8-9,11,13,15-16,27-28,32-34H,4,7,10,12,14,17-20H2,(H2,31,35)/t27-,28?/m0/s1
InChIKeyYSVJVWIXHXFVQJ-MBMZGMDYSA-N
MW488.63 g/mol
LogP3.40
Rot. Bonds12

About 2-[5-[1-hydroxy-2-[[(2S)-7-(3-hydroxypropyl)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]ethyl]-2-phenylmethoxyphenyl]acetamide

2-[5-[1-hydroxy-2-[[(2S)-7-(3-hydroxypropyl)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]ethyl]-2-phenylmethoxyphenyl]acetamide (PubChem CID 139752338) has the molecular formula C30H36N2O4 and a molecular weight of 488.63 g/mol. Its IUPAC name is 2-[5-[1-hydroxy-2-[[(2S)-7-(3-hydroxypropyl)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]ethyl]-2-phenylmethoxyphenyl]acetamide.

Molecular Properties

Compound Name2-[5-[1-hydroxy-2-[[(2S)-7-(3-hydroxypropyl)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]ethyl]-2-phenylmethoxyphenyl]acetamide
PubChem CID139752338
Molecular FormulaC30H36N2O4
Molecular Weight488.63 g/mol
Exact Mass488.27
IUPAC Name2-[5-[1-hydroxy-2-[[(2S)-7-(3-hydroxypropyl)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]ethyl]-2-phenylmethoxyphenyl]acetamide
SMILESNC(=O)Cc1cc(C(O)CN[C@H]2CCc3ccc(CCCO)cc3C2)ccc1OCc1ccccc1
InChIInChI=1S/C30H36N2O4/c31-30(35)18-26-16-24(11-13-29(26)36-20-22-5-2-1-3-6-22)28(34)19-32-27-12-10-23-9-8-21(7-4-14-33)15-25(23)17-27/h1-3,5-6,8-9,11,13,15-16,27-28,32-34H,4,7,10,12,14,17-20H2,(H2,31,35)/t27-,28?/m0/s1
InChIKeyYSVJVWIXHXFVQJ-MBMZGMDYSA-N
XLogP3.40
TPSA104.81 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.63
LogP ≤ 53.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(7S)-7-[[(2S)-2-hydroxy-2-[4-hydroxy-3-(hydroxymethyl)phenyl]ethyl]amino]-5,6,7,8-tetrahydronaphthalen-2-yl]pentanoic acid
CID 70125526
6-[(7S)-7-[[(2S)-2-hydroxy-2-[4-hydroxy-3-(hydroxymethyl)phenyl]ethyl]amino]-5,6,7,8-tetrahydronaphthalen-2-yl]hexanoic acid
CID 70124712
disodium;6-[(7S)-7-[[(2S)-2-hydroxy-2-[3-(hydroxymethyl)-4-oxidophenyl]ethyl]amino]-5,6,7,8-tetrahydronaphthalen-2-yl]hexanoate
CID 70126114
ethyl 2-[[7-[[(2S)-2-(3-chloro-4-phenylmethoxyphenyl)-2-hydroxyethyl]amino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]acetate;hydrochloride
CID 67686378
ethyl 6-[(7S)-7-[[(2S)-2-hydroxy-2-[4-hydroxy-3-(hydroxymethyl)phenyl]ethyl]amino]-5,6,7,8-tetrahydronaphthalen-2-yl]hexanoate
CID 70125698
(1R)-2-[[(2S)-7-(2-hydroxyethoxy)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]-1-phenylethanol
CID 11809585
(7S)-7-[[(2R)-2-hydroxy-2-phenylethyl]amino]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 10085243
4-[2-[(7-ethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]-1-hydroxyethyl]-2-(2-hydroxyethyl)phenol
CID 123453655
(2S)-2-hydroxy-N-[(2S)-7-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]-2-(4-phenylmethoxyphenyl)acetamide
CID 57222877
2-[[(7S)-7-[[(2S)-2-hydroxy-2-[4-hydroxy-3-(2-hydroxyethyl)phenyl]ethyl]amino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]-1-piperidin-1-ylethanone
CID 70136211
2-[[6-[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl]oxy]acetic acid;hydrate;hydrochloride
CID 69028181
2-[[(7S)-7-[[(2S)-2-hydroxy-2-[4-hydroxy-3-(2-hydroxyethyl)phenyl]ethyl]amino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]-1-morpholin-4-ylethanone
CID 70136733

Frequently Asked Questions

What is the IUPAC name of 2-[5-[1-hydroxy-2-[[(2S)-7-(3-hydroxypropyl)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]ethyl]-2-phenylmethoxyphenyl]acetamide?
The IUPAC name of 2-[5-[1-hydroxy-2-[[(2S)-7-(3-hydroxypropyl)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]ethyl]-2-phenylmethoxyphenyl]acetamide (CID 139752338) is 2-[5-[1-hydroxy-2-[[(2S)-7-(3-hydroxypropyl)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]ethyl]-2-phenylmethoxyphenyl]acetamide.
What is the SMILES notation for 2-[5-[1-hydroxy-2-[[(2S)-7-(3-hydroxypropyl)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]ethyl]-2-phenylmethoxyphenyl]acetamide?
The canonical SMILES for 2-[5-[1-hydroxy-2-[[(2S)-7-(3-hydroxypropyl)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]ethyl]-2-phenylmethoxyphenyl]acetamide is NC(=O)Cc1cc(C(O)CN[C@H]2CCc3ccc(CCCO)cc3C2)ccc1OCc1ccccc1.
What is the InChIKey of 2-[5-[1-hydroxy-2-[[(2S)-7-(3-hydroxypropyl)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]ethyl]-2-phenylmethoxyphenyl]acetamide?
The InChIKey is YSVJVWIXHXFVQJ-MBMZGMDYSA-N. The full InChI is InChI=1S/C30H36N2O4/c31-30(35)18-26-16-24(11-13-29(26)36-20-22-5-2-1-3-6-22)28(34)19-32-27-12-10-23-9-8-21(7-4-14-33)15-25(23)17-27/h1-3,5-6,8-9,11,13,15-16,27-28,32-34H,4,7,10,12,14,17-20H2,(H2,31,35)/t27-,28?/m0/s1.
What are the key properties of 2-[5-[1-hydroxy-2-[[(2S)-7-(3-hydroxypropyl)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]ethyl]-2-phenylmethoxyphenyl]acetamide?
2-[5-[1-hydroxy-2-[[(2S)-7-(3-hydroxypropyl)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]ethyl]-2-phenylmethoxyphenyl]acetamide has a molecular weight of 488.63 g/mol, XLogP of 3.40, 12 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[1-hydroxy-2-[[(2S)-7-(3-hydroxypropyl)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]ethyl]-2-phenylmethoxyphenyl]acetamide is sourced from PubChem (CID 139752338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).