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

C26H27NO3 — CID 42627875

IUPAC2-(4-methoxyphenyl)-N-[(1R,2S)-2-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
SMILESCOc1ccc(CC(=O)N[C@@H]2c3ccccc3CC[C@@H]2OCc2ccccc2)cc1
InChIInChI=1S/C26H27NO3/c1-29-22-14-11-19(12-15-22)17-25(28)27-26-23-10-6-5-9-21(23)13-16-24(26)30-18-20-7-3-2-4-8-20/h2-12,14-15,24,26H,13,16-18H2,1H3,(H,27,28)/t24-,26+/m0/s1
InChIKeyZWRPMFNBQMCZQN-AZGAKELHSA-N
MW401.51 g/mol
LogP4.63
Rot. Bonds7

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

2-(4-methoxyphenyl)-N-[(1R,2S)-2-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide (PubChem CID 42627875) has the molecular formula C26H27NO3 and a molecular weight of 401.51 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-N-[(1R,2S)-2-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-N-[(1R,2S)-2-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
PubChem CID42627875
Molecular FormulaC26H27NO3
Molecular Weight401.51 g/mol
Exact Mass401.20
IUPAC Name2-(4-methoxyphenyl)-N-[(1R,2S)-2-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
SMILESCOc1ccc(CC(=O)N[C@@H]2c3ccccc3CC[C@@H]2OCc2ccccc2)cc1
InChIInChI=1S/C26H27NO3/c1-29-22-14-11-19(12-15-22)17-25(28)27-26-23-10-6-5-9-21(23)13-16-24(26)30-18-20-7-3-2-4-8-20/h2-12,14-15,24,26H,13,16-18H2,1H3,(H,27,28)/t24-,26+/m0/s1
InChIKeyZWRPMFNBQMCZQN-AZGAKELHSA-N
XLogP4.63
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.51
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-N-[(1R,2S)-2-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
The IUPAC name of 2-(4-methoxyphenyl)-N-[(1R,2S)-2-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide (CID 42627875) is 2-(4-methoxyphenyl)-N-[(1R,2S)-2-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide.
What is the SMILES notation for 2-(4-methoxyphenyl)-N-[(1R,2S)-2-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
The canonical SMILES for 2-(4-methoxyphenyl)-N-[(1R,2S)-2-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide is COc1ccc(CC(=O)N[C@@H]2c3ccccc3CC[C@@H]2OCc2ccccc2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-N-[(1R,2S)-2-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
The InChIKey is ZWRPMFNBQMCZQN-AZGAKELHSA-N. The full InChI is InChI=1S/C26H27NO3/c1-29-22-14-11-19(12-15-22)17-25(28)27-26-23-10-6-5-9-21(23)13-16-24(26)30-18-20-7-3-2-4-8-20/h2-12,14-15,24,26H,13,16-18H2,1H3,(H,27,28)/t24-,26+/m0/s1.
What are the key properties of 2-(4-methoxyphenyl)-N-[(1R,2S)-2-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
2-(4-methoxyphenyl)-N-[(1R,2S)-2-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide has a molecular weight of 401.51 g/mol, XLogP of 4.63, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-N-[(1R,2S)-2-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide is sourced from PubChem (CID 42627875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).