N-[(3,3-dimethylbenzo[f]chromen-8-yl)methyl]-N-phenylcyclopropanecarboxamide;ethane

C28H31NO2 — CID 142899187

IUPACN-[(3,3-dimethylbenzo[f]chromen-8-yl)methyl]-N-phenylcyclopropanecarboxamide;ethane
SMILESCC.CC1(C)C=Cc2c(ccc3cc(CN(C(=O)C4CC4)c4ccccc4)ccc23)O1
InChIInChI=1S/C26H25NO2.C2H6/c1-26(2)15-14-23-22-12-8-18(16-20(22)11-13-24(23)29-26)17-27(25(28)19-9-10-19)21-6-4-3-5-7-21;1-2/h3-8,11-16,19H,9-10,17H2,1-2H3;1-2H3
InChIKeyDUZPOQMZUDBHES-UHFFFAOYSA-N
MW413.56 g/mol
LogP6.99
Rot. Bonds4

About N-[(3,3-dimethylbenzo[f]chromen-8-yl)methyl]-N-phenylcyclopropanecarboxamide;ethane

N-[(3,3-dimethylbenzo[f]chromen-8-yl)methyl]-N-phenylcyclopropanecarboxamide;ethane (PubChem CID 142899187) has the molecular formula C28H31NO2 and a molecular weight of 413.56 g/mol. Its IUPAC name is N-[(3,3-dimethylbenzo[f]chromen-8-yl)methyl]-N-phenylcyclopropanecarboxamide;ethane.

Molecular Properties

Compound NameN-[(3,3-dimethylbenzo[f]chromen-8-yl)methyl]-N-phenylcyclopropanecarboxamide;ethane
PubChem CID142899187
Molecular FormulaC28H31NO2
Molecular Weight413.56 g/mol
Exact Mass413.24
IUPAC NameN-[(3,3-dimethylbenzo[f]chromen-8-yl)methyl]-N-phenylcyclopropanecarboxamide;ethane
SMILESCC.CC1(C)C=Cc2c(ccc3cc(CN(C(=O)C4CC4)c4ccccc4)ccc23)O1
InChIInChI=1S/C26H25NO2.C2H6/c1-26(2)15-14-23-22-12-8-18(16-20(22)11-13-24(23)29-26)17-27(25(28)19-9-10-19)21-6-4-3-5-7-21;1-2/h3-8,11-16,19H,9-10,17H2,1-2H3;1-2H3
InChIKeyDUZPOQMZUDBHES-UHFFFAOYSA-N
XLogP6.99
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.56
LogP ≤ 56.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(3,3-dimethylbenzo[f]chromen-8-yl)methyl]-N-phenylcyclopropanecarboxamide;ethane?
The IUPAC name of N-[(3,3-dimethylbenzo[f]chromen-8-yl)methyl]-N-phenylcyclopropanecarboxamide;ethane (CID 142899187) is N-[(3,3-dimethylbenzo[f]chromen-8-yl)methyl]-N-phenylcyclopropanecarboxamide;ethane.
What is the SMILES notation for N-[(3,3-dimethylbenzo[f]chromen-8-yl)methyl]-N-phenylcyclopropanecarboxamide;ethane?
The canonical SMILES for N-[(3,3-dimethylbenzo[f]chromen-8-yl)methyl]-N-phenylcyclopropanecarboxamide;ethane is CC.CC1(C)C=Cc2c(ccc3cc(CN(C(=O)C4CC4)c4ccccc4)ccc23)O1.
What is the InChIKey of N-[(3,3-dimethylbenzo[f]chromen-8-yl)methyl]-N-phenylcyclopropanecarboxamide;ethane?
The InChIKey is DUZPOQMZUDBHES-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25NO2.C2H6/c1-26(2)15-14-23-22-12-8-18(16-20(22)11-13-24(23)29-26)17-27(25(28)19-9-10-19)21-6-4-3-5-7-21;1-2/h3-8,11-16,19H,9-10,17H2,1-2H3;1-2H3.
What are the key properties of N-[(3,3-dimethylbenzo[f]chromen-8-yl)methyl]-N-phenylcyclopropanecarboxamide;ethane?
N-[(3,3-dimethylbenzo[f]chromen-8-yl)methyl]-N-phenylcyclopropanecarboxamide;ethane has a molecular weight of 413.56 g/mol, XLogP of 6.99, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,3-dimethylbenzo[f]chromen-8-yl)methyl]-N-phenylcyclopropanecarboxamide;ethane is sourced from PubChem (CID 142899187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).