3-phenyl-N-[(1R,2R)-2-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide

C26H27NO2 — CID 42627885

IUPAC3-phenyl-N-[(1R,2R)-2-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
SMILESO=C(CCc1ccccc1)N[C@@H]1c2ccccc2CC[C@H]1OCc1ccccc1
InChIInChI=1S/C26H27NO2/c28-25(18-15-20-9-3-1-4-10-20)27-26-23-14-8-7-13-22(23)16-17-24(26)29-19-21-11-5-2-6-12-21/h1-14,24,26H,15-19H2,(H,27,28)/t24-,26-/m1/s1
InChIKeyZRUUJOYCTIQOAV-AOYPEHQESA-N
MW385.51 g/mol
LogP5.01
Rot. Bonds7

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

3-phenyl-N-[(1R,2R)-2-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide (PubChem CID 42627885) has the molecular formula C26H27NO2 and a molecular weight of 385.51 g/mol. Its IUPAC name is 3-phenyl-N-[(1R,2R)-2-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide.

Molecular Properties

Compound Name3-phenyl-N-[(1R,2R)-2-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
PubChem CID42627885
Molecular FormulaC26H27NO2
Molecular Weight385.51 g/mol
Exact Mass385.20
IUPAC Name3-phenyl-N-[(1R,2R)-2-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
SMILESO=C(CCc1ccccc1)N[C@@H]1c2ccccc2CC[C@H]1OCc1ccccc1
InChIInChI=1S/C26H27NO2/c28-25(18-15-20-9-3-1-4-10-20)27-26-23-14-8-7-13-22(23)16-17-24(26)29-19-21-11-5-2-6-12-21/h1-14,24,26H,15-19H2,(H,27,28)/t24-,26-/m1/s1
InChIKeyZRUUJOYCTIQOAV-AOYPEHQESA-N
XLogP5.01
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.51
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-N-[(1R,2R)-2-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide?
The IUPAC name of 3-phenyl-N-[(1R,2R)-2-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide (CID 42627885) is 3-phenyl-N-[(1R,2R)-2-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide.
What is the SMILES notation for 3-phenyl-N-[(1R,2R)-2-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide?
The canonical SMILES for 3-phenyl-N-[(1R,2R)-2-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide is O=C(CCc1ccccc1)N[C@@H]1c2ccccc2CC[C@H]1OCc1ccccc1.
What is the InChIKey of 3-phenyl-N-[(1R,2R)-2-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide?
The InChIKey is ZRUUJOYCTIQOAV-AOYPEHQESA-N. The full InChI is InChI=1S/C26H27NO2/c28-25(18-15-20-9-3-1-4-10-20)27-26-23-14-8-7-13-22(23)16-17-24(26)29-19-21-11-5-2-6-12-21/h1-14,24,26H,15-19H2,(H,27,28)/t24-,26-/m1/s1.
What are the key properties of 3-phenyl-N-[(1R,2R)-2-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide?
3-phenyl-N-[(1R,2R)-2-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide has a molecular weight of 385.51 g/mol, XLogP of 5.01, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-N-[(1R,2R)-2-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide is sourced from PubChem (CID 42627885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).