N-(3-methyl-2-oxochromen-6-yl)-2-propan-2-yloxybenzamide

C20H19NO4 — CID 90364375

IUPACN-(3-methyl-2-oxochromen-6-yl)-2-propan-2-yloxybenzamide
SMILESCc1cc2cc(NC(=O)c3ccccc3OC(C)C)ccc2oc1=O
InChIInChI=1S/C20H19NO4/c1-12(2)24-18-7-5-4-6-16(18)19(22)21-15-8-9-17-14(11-15)10-13(3)20(23)25-17/h4-12H,1-3H3,(H,21,22)
InChIKeyMJCFBGFLYAELEZ-UHFFFAOYSA-N
MW337.38 g/mol
LogP4.14
Rot. Bonds4

About N-(3-methyl-2-oxochromen-6-yl)-2-propan-2-yloxybenzamide

N-(3-methyl-2-oxochromen-6-yl)-2-propan-2-yloxybenzamide (PubChem CID 90364375) has the molecular formula C20H19NO4 and a molecular weight of 337.38 g/mol. Its IUPAC name is N-(3-methyl-2-oxochromen-6-yl)-2-propan-2-yloxybenzamide.

Molecular Properties

Compound NameN-(3-methyl-2-oxochromen-6-yl)-2-propan-2-yloxybenzamide
PubChem CID90364375
Molecular FormulaC20H19NO4
Molecular Weight337.38 g/mol
Exact Mass337.13
IUPAC NameN-(3-methyl-2-oxochromen-6-yl)-2-propan-2-yloxybenzamide
SMILESCc1cc2cc(NC(=O)c3ccccc3OC(C)C)ccc2oc1=O
InChIInChI=1S/C20H19NO4/c1-12(2)24-18-7-5-4-6-16(18)19(22)21-15-8-9-17-14(11-15)10-13(3)20(23)25-17/h4-12H,1-3H3,(H,21,22)
InChIKeyMJCFBGFLYAELEZ-UHFFFAOYSA-N
XLogP4.14
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-2-oxochromen-6-yl)-2-propan-2-yloxybenzamide?
The IUPAC name of N-(3-methyl-2-oxochromen-6-yl)-2-propan-2-yloxybenzamide (CID 90364375) is N-(3-methyl-2-oxochromen-6-yl)-2-propan-2-yloxybenzamide.
What is the SMILES notation for N-(3-methyl-2-oxochromen-6-yl)-2-propan-2-yloxybenzamide?
The canonical SMILES for N-(3-methyl-2-oxochromen-6-yl)-2-propan-2-yloxybenzamide is Cc1cc2cc(NC(=O)c3ccccc3OC(C)C)ccc2oc1=O.
What is the InChIKey of N-(3-methyl-2-oxochromen-6-yl)-2-propan-2-yloxybenzamide?
The InChIKey is MJCFBGFLYAELEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO4/c1-12(2)24-18-7-5-4-6-16(18)19(22)21-15-8-9-17-14(11-15)10-13(3)20(23)25-17/h4-12H,1-3H3,(H,21,22).
What are the key properties of N-(3-methyl-2-oxochromen-6-yl)-2-propan-2-yloxybenzamide?
N-(3-methyl-2-oxochromen-6-yl)-2-propan-2-yloxybenzamide has a molecular weight of 337.38 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-2-oxochromen-6-yl)-2-propan-2-yloxybenzamide is sourced from PubChem (CID 90364375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).