N-[(8-methoxy-2,2-dimethylchromen-7-yl)methyl]-N-(3-methylphenyl)cyclopropanecarboxamide

C24H27NO3 — CID 59205480

IUPACN-[(8-methoxy-2,2-dimethylchromen-7-yl)methyl]-N-(3-methylphenyl)cyclopropanecarboxamide
SMILESCOc1c(CN(C(=O)C2CC2)c2cccc(C)c2)ccc2c1OC(C)(C)C=C2
InChIInChI=1S/C24H27NO3/c1-16-6-5-7-20(14-16)25(23(26)18-9-10-18)15-19-11-8-17-12-13-24(2,3)28-22(17)21(19)27-4/h5-8,11-14,18H,9-10,15H2,1-4H3
InChIKeyAMCDITWNDXWLOZ-UHFFFAOYSA-N
MW377.48 g/mol
LogP5.13
Rot. Bonds5

About N-[(8-methoxy-2,2-dimethylchromen-7-yl)methyl]-N-(3-methylphenyl)cyclopropanecarboxamide

N-[(8-methoxy-2,2-dimethylchromen-7-yl)methyl]-N-(3-methylphenyl)cyclopropanecarboxamide (PubChem CID 59205480) has the molecular formula C24H27NO3 and a molecular weight of 377.48 g/mol. Its IUPAC name is N-[(8-methoxy-2,2-dimethylchromen-7-yl)methyl]-N-(3-methylphenyl)cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[(8-methoxy-2,2-dimethylchromen-7-yl)methyl]-N-(3-methylphenyl)cyclopropanecarboxamide
PubChem CID59205480
Molecular FormulaC24H27NO3
Molecular Weight377.48 g/mol
Exact Mass377.20
IUPAC NameN-[(8-methoxy-2,2-dimethylchromen-7-yl)methyl]-N-(3-methylphenyl)cyclopropanecarboxamide
SMILESCOc1c(CN(C(=O)C2CC2)c2cccc(C)c2)ccc2c1OC(C)(C)C=C2
InChIInChI=1S/C24H27NO3/c1-16-6-5-7-20(14-16)25(23(26)18-9-10-18)15-19-11-8-17-12-13-24(2,3)28-22(17)21(19)27-4/h5-8,11-14,18H,9-10,15H2,1-4H3
InChIKeyAMCDITWNDXWLOZ-UHFFFAOYSA-N
XLogP5.13
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.48
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(8-methoxy-2,2-dimethylchromen-7-yl)methyl]-N-(3-methylphenyl)cyclopropanecarboxamide?
The IUPAC name of N-[(8-methoxy-2,2-dimethylchromen-7-yl)methyl]-N-(3-methylphenyl)cyclopropanecarboxamide (CID 59205480) is N-[(8-methoxy-2,2-dimethylchromen-7-yl)methyl]-N-(3-methylphenyl)cyclopropanecarboxamide.
What is the SMILES notation for N-[(8-methoxy-2,2-dimethylchromen-7-yl)methyl]-N-(3-methylphenyl)cyclopropanecarboxamide?
The canonical SMILES for N-[(8-methoxy-2,2-dimethylchromen-7-yl)methyl]-N-(3-methylphenyl)cyclopropanecarboxamide is COc1c(CN(C(=O)C2CC2)c2cccc(C)c2)ccc2c1OC(C)(C)C=C2.
What is the InChIKey of N-[(8-methoxy-2,2-dimethylchromen-7-yl)methyl]-N-(3-methylphenyl)cyclopropanecarboxamide?
The InChIKey is AMCDITWNDXWLOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27NO3/c1-16-6-5-7-20(14-16)25(23(26)18-9-10-18)15-19-11-8-17-12-13-24(2,3)28-22(17)21(19)27-4/h5-8,11-14,18H,9-10,15H2,1-4H3.
What are the key properties of N-[(8-methoxy-2,2-dimethylchromen-7-yl)methyl]-N-(3-methylphenyl)cyclopropanecarboxamide?
N-[(8-methoxy-2,2-dimethylchromen-7-yl)methyl]-N-(3-methylphenyl)cyclopropanecarboxamide has a molecular weight of 377.48 g/mol, XLogP of 5.13, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(8-methoxy-2,2-dimethylchromen-7-yl)methyl]-N-(3-methylphenyl)cyclopropanecarboxamide is sourced from PubChem (CID 59205480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).