(2S)-2-hydroxy-N-[(2S)-7-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]-2-(4-phenylmethoxyphenyl)acetamide

C25H25NO4 — CID 57222877

IUPAC(2S)-2-hydroxy-N-[(2S)-7-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]-2-(4-phenylmethoxyphenyl)acetamide
SMILESO=C(N[C@H]1CCc2ccc(O)cc2C1)[C@@H](O)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C25H25NO4/c27-22-11-7-18-6-10-21(14-20(18)15-22)26-25(29)24(28)19-8-12-23(13-9-19)30-16-17-4-2-1-3-5-17/h1-5,7-9,11-13,15,21,24,27-28H,6,10,14,16H2,(H,26,29)/t21-,24-/m0/s1
InChIKeyCBMKVVTUXNKYIO-URXFXBBRSA-N
MW403.48 g/mol
LogP3.68
Rot. Bonds6

About (2S)-2-hydroxy-N-[(2S)-7-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]-2-(4-phenylmethoxyphenyl)acetamide

(2S)-2-hydroxy-N-[(2S)-7-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]-2-(4-phenylmethoxyphenyl)acetamide (PubChem CID 57222877) has the molecular formula C25H25NO4 and a molecular weight of 403.48 g/mol. Its IUPAC name is (2S)-2-hydroxy-N-[(2S)-7-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]-2-(4-phenylmethoxyphenyl)acetamide.

Molecular Properties

Compound Name(2S)-2-hydroxy-N-[(2S)-7-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]-2-(4-phenylmethoxyphenyl)acetamide
PubChem CID57222877
Molecular FormulaC25H25NO4
Molecular Weight403.48 g/mol
Exact Mass403.18
IUPAC Name(2S)-2-hydroxy-N-[(2S)-7-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]-2-(4-phenylmethoxyphenyl)acetamide
SMILESO=C(N[C@H]1CCc2ccc(O)cc2C1)[C@@H](O)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C25H25NO4/c27-22-11-7-18-6-10-21(14-20(18)15-22)26-25(29)24(28)19-8-12-23(13-9-19)30-16-17-4-2-1-3-5-17/h1-5,7-9,11-13,15,21,24,27-28H,6,10,14,16H2,(H,26,29)/t21-,24-/m0/s1
InChIKeyCBMKVVTUXNKYIO-URXFXBBRSA-N
XLogP3.68
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.48
LogP ≤ 53.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(7S)-7-[[(2R)-2-hydroxy-2-phenylethyl]amino]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 10085243
N-(4-phenylmethoxyphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 15078242
ethyl 2-[[7-[[(2S)-2-(3-chloro-4-phenylmethoxyphenyl)-2-hydroxyethyl]amino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]acetate;hydrochloride
CID 67686378
(6S)-6-(benzylamino)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ol
CID 54398610
ethyl 2-[(6-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)oxy]acetate;ethyl 2-[(6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)oxy]acetate
CID 129285095
2-[5-[1-hydroxy-2-[[(2S)-7-(3-hydroxypropyl)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]ethyl]-2-phenylmethoxyphenyl]acetamide
CID 139752338
2-(cyclopropylmethylamino)-1-(4-phenylmethoxyphenyl)ethanol
CID 130406647
7-[[(2-hydroxy-2-phenylethyl)amino]methyl]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 15718631
2-[[(7S)-7-[[2-hydroxy-2-(4-hydroxyphenyl)ethyl]amino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]-N,N-dimethylacetamide
CID 15453437
2-[[(7S)-7-[[2-(3-chloro-4-hydroxyphenyl)-2-hydroxyethyl]amino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]acetic acid
CID 67686196
(2S)-1-amino-3-phenoxy-1-(3-phenylmethoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl)propan-2-ol;hydrochloride
CID 70180730
benzyl N-(6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)carbamate
CID 11175233

Frequently Asked Questions

What is the IUPAC name of (2S)-2-hydroxy-N-[(2S)-7-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]-2-(4-phenylmethoxyphenyl)acetamide?
The IUPAC name of (2S)-2-hydroxy-N-[(2S)-7-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]-2-(4-phenylmethoxyphenyl)acetamide (CID 57222877) is (2S)-2-hydroxy-N-[(2S)-7-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]-2-(4-phenylmethoxyphenyl)acetamide.
What is the SMILES notation for (2S)-2-hydroxy-N-[(2S)-7-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]-2-(4-phenylmethoxyphenyl)acetamide?
The canonical SMILES for (2S)-2-hydroxy-N-[(2S)-7-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]-2-(4-phenylmethoxyphenyl)acetamide is O=C(N[C@H]1CCc2ccc(O)cc2C1)[C@@H](O)c1ccc(OCc2ccccc2)cc1.
What is the InChIKey of (2S)-2-hydroxy-N-[(2S)-7-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]-2-(4-phenylmethoxyphenyl)acetamide?
The InChIKey is CBMKVVTUXNKYIO-URXFXBBRSA-N. The full InChI is InChI=1S/C25H25NO4/c27-22-11-7-18-6-10-21(14-20(18)15-22)26-25(29)24(28)19-8-12-23(13-9-19)30-16-17-4-2-1-3-5-17/h1-5,7-9,11-13,15,21,24,27-28H,6,10,14,16H2,(H,26,29)/t21-,24-/m0/s1.
What are the key properties of (2S)-2-hydroxy-N-[(2S)-7-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]-2-(4-phenylmethoxyphenyl)acetamide?
(2S)-2-hydroxy-N-[(2S)-7-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]-2-(4-phenylmethoxyphenyl)acetamide has a molecular weight of 403.48 g/mol, XLogP of 3.68, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-hydroxy-N-[(2S)-7-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]-2-(4-phenylmethoxyphenyl)acetamide is sourced from PubChem (CID 57222877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).