N-[(8-methoxy-2,2-dimethylchromen-7-yl)methyl]-N-phenylcyclopropanecarboxamide

C23H25NO3 — CID 10959425

IUPACN-[(8-methoxy-2,2-dimethylchromen-7-yl)methyl]-N-phenylcyclopropanecarboxamide
SMILESCOc1c(CN(C(=O)C2CC2)c2ccccc2)ccc2c1OC(C)(C)C=C2
InChIInChI=1S/C23H25NO3/c1-23(2)14-13-16-9-12-18(20(26-3)21(16)27-23)15-24(22(25)17-10-11-17)19-7-5-4-6-8-19/h4-9,12-14,17H,10-11,15H2,1-3H3
InChIKeyAYBGMHSHUIBQAY-UHFFFAOYSA-N
MW363.46 g/mol
LogP4.82
Rot. Bonds5

About N-[(8-methoxy-2,2-dimethylchromen-7-yl)methyl]-N-phenylcyclopropanecarboxamide

N-[(8-methoxy-2,2-dimethylchromen-7-yl)methyl]-N-phenylcyclopropanecarboxamide (PubChem CID 10959425) has the molecular formula C23H25NO3 and a molecular weight of 363.46 g/mol. Its IUPAC name is N-[(8-methoxy-2,2-dimethylchromen-7-yl)methyl]-N-phenylcyclopropanecarboxamide.

Molecular Properties

Compound NameN-[(8-methoxy-2,2-dimethylchromen-7-yl)methyl]-N-phenylcyclopropanecarboxamide
PubChem CID10959425
Molecular FormulaC23H25NO3
Molecular Weight363.46 g/mol
Exact Mass363.18
IUPAC NameN-[(8-methoxy-2,2-dimethylchromen-7-yl)methyl]-N-phenylcyclopropanecarboxamide
SMILESCOc1c(CN(C(=O)C2CC2)c2ccccc2)ccc2c1OC(C)(C)C=C2
InChIInChI=1S/C23H25NO3/c1-23(2)14-13-16-9-12-18(20(26-3)21(16)27-23)15-24(22(25)17-10-11-17)19-7-5-4-6-8-19/h4-9,12-14,17H,10-11,15H2,1-3H3
InChIKeyAYBGMHSHUIBQAY-UHFFFAOYSA-N
XLogP4.82
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-[(8-methoxy-2,2-dimethylchromen-7-yl)methyl]-N-phenylcyclopropanecarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(8-methoxy-2,2-dimethylchromen-7-yl)methyl]-N-phenylcyclopropanecarboxamide?
The IUPAC name of N-[(8-methoxy-2,2-dimethylchromen-7-yl)methyl]-N-phenylcyclopropanecarboxamide (CID 10959425) is N-[(8-methoxy-2,2-dimethylchromen-7-yl)methyl]-N-phenylcyclopropanecarboxamide.
What is the SMILES notation for N-[(8-methoxy-2,2-dimethylchromen-7-yl)methyl]-N-phenylcyclopropanecarboxamide?
The canonical SMILES for N-[(8-methoxy-2,2-dimethylchromen-7-yl)methyl]-N-phenylcyclopropanecarboxamide is COc1c(CN(C(=O)C2CC2)c2ccccc2)ccc2c1OC(C)(C)C=C2.
What is the InChIKey of N-[(8-methoxy-2,2-dimethylchromen-7-yl)methyl]-N-phenylcyclopropanecarboxamide?
The InChIKey is AYBGMHSHUIBQAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO3/c1-23(2)14-13-16-9-12-18(20(26-3)21(16)27-23)15-24(22(25)17-10-11-17)19-7-5-4-6-8-19/h4-9,12-14,17H,10-11,15H2,1-3H3.
What are the key properties of N-[(8-methoxy-2,2-dimethylchromen-7-yl)methyl]-N-phenylcyclopropanecarboxamide?
N-[(8-methoxy-2,2-dimethylchromen-7-yl)methyl]-N-phenylcyclopropanecarboxamide has a molecular weight of 363.46 g/mol, XLogP of 4.82, 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-phenylcyclopropanecarboxamide is sourced from PubChem (CID 10959425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).