2-phenylmethoxy-N-[(1R,2S)-2-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide

C26H27NO3 — CID 42627886

IUPAC2-phenylmethoxy-N-[(1R,2S)-2-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
SMILESO=C(COCc1ccccc1)N[C@@H]1c2ccccc2CC[C@@H]1OCc1ccccc1
InChIInChI=1S/C26H27NO3/c28-25(19-29-17-20-9-3-1-4-10-20)27-26-23-14-8-7-13-22(23)15-16-24(26)30-18-21-11-5-2-6-12-21/h1-14,24,26H,15-19H2,(H,27,28)/t24-,26+/m0/s1
InChIKeyTXJOKYQUXNTJJM-AZGAKELHSA-N
MW401.51 g/mol
LogP4.59
Rot. Bonds8

About 2-phenylmethoxy-N-[(1R,2S)-2-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide

2-phenylmethoxy-N-[(1R,2S)-2-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide (PubChem CID 42627886) has the molecular formula C26H27NO3 and a molecular weight of 401.51 g/mol. Its IUPAC name is 2-phenylmethoxy-N-[(1R,2S)-2-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide.

Molecular Properties

Compound Name2-phenylmethoxy-N-[(1R,2S)-2-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
PubChem CID42627886
Molecular FormulaC26H27NO3
Molecular Weight401.51 g/mol
Exact Mass401.20
IUPAC Name2-phenylmethoxy-N-[(1R,2S)-2-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
SMILESO=C(COCc1ccccc1)N[C@@H]1c2ccccc2CC[C@@H]1OCc1ccccc1
InChIInChI=1S/C26H27NO3/c28-25(19-29-17-20-9-3-1-4-10-20)27-26-23-14-8-7-13-22(23)15-16-24(26)30-18-21-11-5-2-6-12-21/h1-14,24,26H,15-19H2,(H,27,28)/t24-,26+/m0/s1
InChIKeyTXJOKYQUXNTJJM-AZGAKELHSA-N
XLogP4.59
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.51
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-phenylmethoxy-N-[(1R,2S)-2-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
The IUPAC name of 2-phenylmethoxy-N-[(1R,2S)-2-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide (CID 42627886) is 2-phenylmethoxy-N-[(1R,2S)-2-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide.
What is the SMILES notation for 2-phenylmethoxy-N-[(1R,2S)-2-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
The canonical SMILES for 2-phenylmethoxy-N-[(1R,2S)-2-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide is O=C(COCc1ccccc1)N[C@@H]1c2ccccc2CC[C@@H]1OCc1ccccc1.
What is the InChIKey of 2-phenylmethoxy-N-[(1R,2S)-2-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
The InChIKey is TXJOKYQUXNTJJM-AZGAKELHSA-N. The full InChI is InChI=1S/C26H27NO3/c28-25(19-29-17-20-9-3-1-4-10-20)27-26-23-14-8-7-13-22(23)15-16-24(26)30-18-21-11-5-2-6-12-21/h1-14,24,26H,15-19H2,(H,27,28)/t24-,26+/m0/s1.
What are the key properties of 2-phenylmethoxy-N-[(1R,2S)-2-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
2-phenylmethoxy-N-[(1R,2S)-2-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide has a molecular weight of 401.51 g/mol, XLogP of 4.59, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylmethoxy-N-[(1R,2S)-2-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide is sourced from PubChem (CID 42627886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).