ethane;N-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide

C28H33NO3 — CID 142124483

IUPACethane;N-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
SMILESCC.COc1ccc(CN(C(=O)C2CCCc3ccccc32)c2ccc(OC)cc2)cc1
InChIInChI=1S/C26H27NO3.C2H6/c1-29-22-14-10-19(11-15-22)18-27(21-12-16-23(30-2)17-13-21)26(28)25-9-5-7-20-6-3-4-8-24(20)25;1-2/h3-4,6,8,10-17,25H,5,7,9,18H2,1-2H3;1-2H3
InChIKeySZPCNQALSDKUSM-UHFFFAOYSA-N
MW431.58 g/mol
LogP6.38
Rot. Bonds6

About ethane;N-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide

ethane;N-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide (PubChem CID 142124483) has the molecular formula C28H33NO3 and a molecular weight of 431.58 g/mol. Its IUPAC name is ethane;N-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide.

Molecular Properties

Compound Nameethane;N-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
PubChem CID142124483
Molecular FormulaC28H33NO3
Molecular Weight431.58 g/mol
Exact Mass431.25
IUPAC Nameethane;N-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
SMILESCC.COc1ccc(CN(C(=O)C2CCCc3ccccc32)c2ccc(OC)cc2)cc1
InChIInChI=1S/C26H27NO3.C2H6/c1-29-22-14-10-19(11-15-22)18-27(21-12-16-23(30-2)17-13-21)26(28)25-9-5-7-20-6-3-4-8-24(20)25;1-2/h3-4,6,8,10-17,25H,5,7,9,18H2,1-2H3;1-2H3
InChIKeySZPCNQALSDKUSM-UHFFFAOYSA-N
XLogP6.38
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.58
LogP ≤ 56.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;N-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
The IUPAC name of ethane;N-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide (CID 142124483) is ethane;N-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide.
What is the SMILES notation for ethane;N-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
The canonical SMILES for ethane;N-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide is CC.COc1ccc(CN(C(=O)C2CCCc3ccccc32)c2ccc(OC)cc2)cc1.
What is the InChIKey of ethane;N-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
The InChIKey is SZPCNQALSDKUSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27NO3.C2H6/c1-29-22-14-10-19(11-15-22)18-27(21-12-16-23(30-2)17-13-21)26(28)25-9-5-7-20-6-3-4-8-24(20)25;1-2/h3-4,6,8,10-17,25H,5,7,9,18H2,1-2H3;1-2H3.
What are the key properties of ethane;N-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
ethane;N-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide has a molecular weight of 431.58 g/mol, XLogP of 6.38, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide is sourced from PubChem (CID 142124483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).