8-methoxy-N-[(1S,2R)-2-phenylcyclopropyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide

C21H23NO2 — CID 53317560

IUPAC8-methoxy-N-[(1S,2R)-2-phenylcyclopropyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide
SMILESCOc1cccc2c1CC(C(=O)N[C@H]1C[C@@H]1c1ccccc1)CC2
InChIInChI=1S/C21H23NO2/c1-24-20-9-5-8-15-10-11-16(12-18(15)20)21(23)22-19-13-17(19)14-6-3-2-4-7-14/h2-9,16-17,19H,10-13H2,1H3,(H,22,23)/t16?,17-,19+/m1/s1
InChIKeyGWFJJCPRJHUFIT-QIONWKSUSA-N
MW321.42 g/mol
LogP3.47
Rot. Bonds4

About 8-methoxy-N-[(1S,2R)-2-phenylcyclopropyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide

8-methoxy-N-[(1S,2R)-2-phenylcyclopropyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide (PubChem CID 53317560) has the molecular formula C21H23NO2 and a molecular weight of 321.42 g/mol. Its IUPAC name is 8-methoxy-N-[(1S,2R)-2-phenylcyclopropyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide.

Molecular Properties

Compound Name8-methoxy-N-[(1S,2R)-2-phenylcyclopropyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide
PubChem CID53317560
Molecular FormulaC21H23NO2
Molecular Weight321.42 g/mol
Exact Mass321.17
IUPAC Name8-methoxy-N-[(1S,2R)-2-phenylcyclopropyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide
SMILESCOc1cccc2c1CC(C(=O)N[C@H]1C[C@@H]1c1ccccc1)CC2
InChIInChI=1S/C21H23NO2/c1-24-20-9-5-8-15-10-11-16(12-18(15)20)21(23)22-19-13-17(19)14-6-3-2-4-7-14/h2-9,16-17,19H,10-13H2,1H3,(H,22,23)/t16?,17-,19+/m1/s1
InChIKeyGWFJJCPRJHUFIT-QIONWKSUSA-N
XLogP3.47
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-methoxy-N-[(1S,2R)-2-phenylcyclopropyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide?
The IUPAC name of 8-methoxy-N-[(1S,2R)-2-phenylcyclopropyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide (CID 53317560) is 8-methoxy-N-[(1S,2R)-2-phenylcyclopropyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide.
What is the SMILES notation for 8-methoxy-N-[(1S,2R)-2-phenylcyclopropyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide?
The canonical SMILES for 8-methoxy-N-[(1S,2R)-2-phenylcyclopropyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide is COc1cccc2c1CC(C(=O)N[C@H]1C[C@@H]1c1ccccc1)CC2.
What is the InChIKey of 8-methoxy-N-[(1S,2R)-2-phenylcyclopropyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide?
The InChIKey is GWFJJCPRJHUFIT-QIONWKSUSA-N. The full InChI is InChI=1S/C21H23NO2/c1-24-20-9-5-8-15-10-11-16(12-18(15)20)21(23)22-19-13-17(19)14-6-3-2-4-7-14/h2-9,16-17,19H,10-13H2,1H3,(H,22,23)/t16?,17-,19+/m1/s1.
What are the key properties of 8-methoxy-N-[(1S,2R)-2-phenylcyclopropyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide?
8-methoxy-N-[(1S,2R)-2-phenylcyclopropyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide has a molecular weight of 321.42 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-N-[(1S,2R)-2-phenylcyclopropyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide is sourced from PubChem (CID 53317560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).