(2R)-6-hydroxy-N-[(2S)-1-[(3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]-3-methylbutan-2-yl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide

C29H40N2O3 — CID 11698381

IUPAC(2R)-6-hydroxy-N-[(2S)-1-[(3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]-3-methylbutan-2-yl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide
SMILESCC(C)[C@@H](CN1CC[C@@](C)(c2cccc(O)c2)[C@@H](C)C1)NC(=O)[C@@H]1CCc2cc(O)ccc2C1
InChIInChI=1S/C29H40N2O3/c1-19(2)27(30-28(34)23-9-8-22-15-26(33)11-10-21(22)14-23)18-31-13-12-29(4,20(3)17-31)24-6-5-7-25(32)16-24/h5-7,10-11,15-16,19-20,23,27,32-33H,8-9,12-14,17-18H2,1-4H3,(H,30,34)/t20-,23+,27+,29+/m0/s1
InChIKeyWXGDFQBKLWJZDU-ZDGQEMPXSA-N
MW464.65 g/mol
LogP4.64
Rot. Bonds6

About (2R)-6-hydroxy-N-[(2S)-1-[(3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]-3-methylbutan-2-yl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide

(2R)-6-hydroxy-N-[(2S)-1-[(3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]-3-methylbutan-2-yl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide (PubChem CID 11698381) has the molecular formula C29H40N2O3 and a molecular weight of 464.65 g/mol. Its IUPAC name is (2R)-6-hydroxy-N-[(2S)-1-[(3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]-3-methylbutan-2-yl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide.

Molecular Properties

Compound Name(2R)-6-hydroxy-N-[(2S)-1-[(3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]-3-methylbutan-2-yl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide
PubChem CID11698381
Molecular FormulaC29H40N2O3
Molecular Weight464.65 g/mol
Exact Mass464.30
IUPAC Name(2R)-6-hydroxy-N-[(2S)-1-[(3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]-3-methylbutan-2-yl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide
SMILESCC(C)[C@@H](CN1CC[C@@](C)(c2cccc(O)c2)[C@@H](C)C1)NC(=O)[C@@H]1CCc2cc(O)ccc2C1
InChIInChI=1S/C29H40N2O3/c1-19(2)27(30-28(34)23-9-8-22-15-26(33)11-10-21(22)14-23)18-31-13-12-29(4,20(3)17-31)24-6-5-7-25(32)16-24/h5-7,10-11,15-16,19-20,23,27,32-33H,8-9,12-14,17-18H2,1-4H3,(H,30,34)/t20-,23+,27+,29+/m0/s1
InChIKeyWXGDFQBKLWJZDU-ZDGQEMPXSA-N
XLogP4.64
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.65
LogP ≤ 54.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (2R)-6-hydroxy-N-[(2S)-1-[(3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]-3-methylbutan-2-yl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R)-6-hydroxy-N-[(2S)-1-[(3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]-3-methylbutan-2-yl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide?
The IUPAC name of (2R)-6-hydroxy-N-[(2S)-1-[(3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]-3-methylbutan-2-yl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide (CID 11698381) is (2R)-6-hydroxy-N-[(2S)-1-[(3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]-3-methylbutan-2-yl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide.
What is the SMILES notation for (2R)-6-hydroxy-N-[(2S)-1-[(3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]-3-methylbutan-2-yl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide?
The canonical SMILES for (2R)-6-hydroxy-N-[(2S)-1-[(3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]-3-methylbutan-2-yl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide is CC(C)[C@@H](CN1CC[C@@](C)(c2cccc(O)c2)[C@@H](C)C1)NC(=O)[C@@H]1CCc2cc(O)ccc2C1.
What is the InChIKey of (2R)-6-hydroxy-N-[(2S)-1-[(3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]-3-methylbutan-2-yl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide?
The InChIKey is WXGDFQBKLWJZDU-ZDGQEMPXSA-N. The full InChI is InChI=1S/C29H40N2O3/c1-19(2)27(30-28(34)23-9-8-22-15-26(33)11-10-21(22)14-23)18-31-13-12-29(4,20(3)17-31)24-6-5-7-25(32)16-24/h5-7,10-11,15-16,19-20,23,27,32-33H,8-9,12-14,17-18H2,1-4H3,(H,30,34)/t20-,23+,27+,29+/m0/s1.
What are the key properties of (2R)-6-hydroxy-N-[(2S)-1-[(3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]-3-methylbutan-2-yl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide?
(2R)-6-hydroxy-N-[(2S)-1-[(3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]-3-methylbutan-2-yl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide has a molecular weight of 464.65 g/mol, XLogP of 4.64, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-6-hydroxy-N-[(2S)-1-[(3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]-3-methylbutan-2-yl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide is sourced from PubChem (CID 11698381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).