N-(6-formylnaphthalen-1-yl)-N-[(8-methoxy-2,2-dimethylchromen-7-yl)methyl]cyclopropanecarboxamide

C28H27NO4 — CID 89090224

IUPACN-(6-formylnaphthalen-1-yl)-N-[(8-methoxy-2,2-dimethylchromen-7-yl)methyl]cyclopropanecarboxamide
SMILESCOc1c(CN(C(=O)C2CC2)c2cccc3cc(C=O)ccc23)ccc2c1OC(C)(C)C=C2
InChIInChI=1S/C28H27NO4/c1-28(2)14-13-19-8-11-22(25(32-3)26(19)33-28)16-29(27(31)20-9-10-20)24-6-4-5-21-15-18(17-30)7-12-23(21)24/h4-8,11-15,17,20H,9-10,16H2,1-3H3
InChIKeyAYJBVBBHTDUMCV-UHFFFAOYSA-N
MW441.53 g/mol
LogP5.79
Rot. Bonds6

About N-(6-formylnaphthalen-1-yl)-N-[(8-methoxy-2,2-dimethylchromen-7-yl)methyl]cyclopropanecarboxamide

N-(6-formylnaphthalen-1-yl)-N-[(8-methoxy-2,2-dimethylchromen-7-yl)methyl]cyclopropanecarboxamide (PubChem CID 89090224) has the molecular formula C28H27NO4 and a molecular weight of 441.53 g/mol. Its IUPAC name is N-(6-formylnaphthalen-1-yl)-N-[(8-methoxy-2,2-dimethylchromen-7-yl)methyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-(6-formylnaphthalen-1-yl)-N-[(8-methoxy-2,2-dimethylchromen-7-yl)methyl]cyclopropanecarboxamide
PubChem CID89090224
Molecular FormulaC28H27NO4
Molecular Weight441.53 g/mol
Exact Mass441.19
IUPAC NameN-(6-formylnaphthalen-1-yl)-N-[(8-methoxy-2,2-dimethylchromen-7-yl)methyl]cyclopropanecarboxamide
SMILESCOc1c(CN(C(=O)C2CC2)c2cccc3cc(C=O)ccc23)ccc2c1OC(C)(C)C=C2
InChIInChI=1S/C28H27NO4/c1-28(2)14-13-19-8-11-22(25(32-3)26(19)33-28)16-29(27(31)20-9-10-20)24-6-4-5-21-15-18(17-30)7-12-23(21)24/h4-8,11-15,17,20H,9-10,16H2,1-3H3
InChIKeyAYJBVBBHTDUMCV-UHFFFAOYSA-N
XLogP5.79
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.53
LogP ≤ 55.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(6-formylnaphthalen-1-yl)-N-[(8-methoxy-2,2-dimethylchromen-7-yl)methyl]cyclopropanecarboxamide?
The IUPAC name of N-(6-formylnaphthalen-1-yl)-N-[(8-methoxy-2,2-dimethylchromen-7-yl)methyl]cyclopropanecarboxamide (CID 89090224) is N-(6-formylnaphthalen-1-yl)-N-[(8-methoxy-2,2-dimethylchromen-7-yl)methyl]cyclopropanecarboxamide.
What is the SMILES notation for N-(6-formylnaphthalen-1-yl)-N-[(8-methoxy-2,2-dimethylchromen-7-yl)methyl]cyclopropanecarboxamide?
The canonical SMILES for N-(6-formylnaphthalen-1-yl)-N-[(8-methoxy-2,2-dimethylchromen-7-yl)methyl]cyclopropanecarboxamide is COc1c(CN(C(=O)C2CC2)c2cccc3cc(C=O)ccc23)ccc2c1OC(C)(C)C=C2.
What is the InChIKey of N-(6-formylnaphthalen-1-yl)-N-[(8-methoxy-2,2-dimethylchromen-7-yl)methyl]cyclopropanecarboxamide?
The InChIKey is AYJBVBBHTDUMCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27NO4/c1-28(2)14-13-19-8-11-22(25(32-3)26(19)33-28)16-29(27(31)20-9-10-20)24-6-4-5-21-15-18(17-30)7-12-23(21)24/h4-8,11-15,17,20H,9-10,16H2,1-3H3.
What are the key properties of N-(6-formylnaphthalen-1-yl)-N-[(8-methoxy-2,2-dimethylchromen-7-yl)methyl]cyclopropanecarboxamide?
N-(6-formylnaphthalen-1-yl)-N-[(8-methoxy-2,2-dimethylchromen-7-yl)methyl]cyclopropanecarboxamide has a molecular weight of 441.53 g/mol, XLogP of 5.79, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-formylnaphthalen-1-yl)-N-[(8-methoxy-2,2-dimethylchromen-7-yl)methyl]cyclopropanecarboxamide is sourced from PubChem (CID 89090224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).