N-[1-(dimethylamino)propan-2-yl]-3-methyl-2-(4-methylphenyl)-4-oxochromene-8-carboxamide

C23H26N2O3 — CID 13476713

IUPACN-[1-(dimethylamino)propan-2-yl]-3-methyl-2-(4-methylphenyl)-4-oxochromene-8-carboxamide
SMILESCc1ccc(-c2oc3c(C(=O)NC(C)CN(C)C)cccc3c(=O)c2C)cc1
InChIInChI=1S/C23H26N2O3/c1-14-9-11-17(12-10-14)21-16(3)20(26)18-7-6-8-19(22(18)28-21)23(27)24-15(2)13-25(4)5/h6-12,15H,13H2,1-5H3,(H,24,27)
InChIKeyBZNWTWFJXNADNU-UHFFFAOYSA-N
MW378.47 g/mol
LogP3.76
Rot. Bonds5

About N-[1-(dimethylamino)propan-2-yl]-3-methyl-2-(4-methylphenyl)-4-oxochromene-8-carboxamide

N-[1-(dimethylamino)propan-2-yl]-3-methyl-2-(4-methylphenyl)-4-oxochromene-8-carboxamide (PubChem CID 13476713) has the molecular formula C23H26N2O3 and a molecular weight of 378.47 g/mol. Its IUPAC name is N-[1-(dimethylamino)propan-2-yl]-3-methyl-2-(4-methylphenyl)-4-oxochromene-8-carboxamide.

Molecular Properties

Compound NameN-[1-(dimethylamino)propan-2-yl]-3-methyl-2-(4-methylphenyl)-4-oxochromene-8-carboxamide
PubChem CID13476713
Molecular FormulaC23H26N2O3
Molecular Weight378.47 g/mol
Exact Mass378.19
IUPAC NameN-[1-(dimethylamino)propan-2-yl]-3-methyl-2-(4-methylphenyl)-4-oxochromene-8-carboxamide
SMILESCc1ccc(-c2oc3c(C(=O)NC(C)CN(C)C)cccc3c(=O)c2C)cc1
InChIInChI=1S/C23H26N2O3/c1-14-9-11-17(12-10-14)21-16(3)20(26)18-7-6-8-19(22(18)28-21)23(27)24-15(2)13-25(4)5/h6-12,15H,13H2,1-5H3,(H,24,27)
InChIKeyBZNWTWFJXNADNU-UHFFFAOYSA-N
XLogP3.76
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(dimethylamino)propan-2-yl]-3-methyl-2-(4-methylphenyl)-4-oxochromene-8-carboxamide?
The IUPAC name of N-[1-(dimethylamino)propan-2-yl]-3-methyl-2-(4-methylphenyl)-4-oxochromene-8-carboxamide (CID 13476713) is N-[1-(dimethylamino)propan-2-yl]-3-methyl-2-(4-methylphenyl)-4-oxochromene-8-carboxamide.
What is the SMILES notation for N-[1-(dimethylamino)propan-2-yl]-3-methyl-2-(4-methylphenyl)-4-oxochromene-8-carboxamide?
The canonical SMILES for N-[1-(dimethylamino)propan-2-yl]-3-methyl-2-(4-methylphenyl)-4-oxochromene-8-carboxamide is Cc1ccc(-c2oc3c(C(=O)NC(C)CN(C)C)cccc3c(=O)c2C)cc1.
What is the InChIKey of N-[1-(dimethylamino)propan-2-yl]-3-methyl-2-(4-methylphenyl)-4-oxochromene-8-carboxamide?
The InChIKey is BZNWTWFJXNADNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O3/c1-14-9-11-17(12-10-14)21-16(3)20(26)18-7-6-8-19(22(18)28-21)23(27)24-15(2)13-25(4)5/h6-12,15H,13H2,1-5H3,(H,24,27).
What are the key properties of N-[1-(dimethylamino)propan-2-yl]-3-methyl-2-(4-methylphenyl)-4-oxochromene-8-carboxamide?
N-[1-(dimethylamino)propan-2-yl]-3-methyl-2-(4-methylphenyl)-4-oxochromene-8-carboxamide has a molecular weight of 378.47 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(dimethylamino)propan-2-yl]-3-methyl-2-(4-methylphenyl)-4-oxochromene-8-carboxamide is sourced from PubChem (CID 13476713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).