2-(3-methylbutylamino)-N-(4-methyl-2-oxochromen-7-yl)acetamide

C17H22N2O3 — CID 134136068

IUPAC2-(3-methylbutylamino)-N-(4-methyl-2-oxochromen-7-yl)acetamide
SMILESCc1cc(=O)oc2cc(NC(=O)CNCCC(C)C)ccc12
InChIInChI=1S/C17H22N2O3/c1-11(2)6-7-18-10-16(20)19-13-4-5-14-12(3)8-17(21)22-15(14)9-13/h4-5,8-9,11,18H,6-7,10H2,1-3H3,(H,19,20)
InChIKeyLUEZECVEKJTYKX-UHFFFAOYSA-N
MW302.37 g/mol
LogP2.68
Rot. Bonds6

About 2-(3-methylbutylamino)-N-(4-methyl-2-oxochromen-7-yl)acetamide

2-(3-methylbutylamino)-N-(4-methyl-2-oxochromen-7-yl)acetamide (PubChem CID 134136068) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is 2-(3-methylbutylamino)-N-(4-methyl-2-oxochromen-7-yl)acetamide.

Molecular Properties

Compound Name2-(3-methylbutylamino)-N-(4-methyl-2-oxochromen-7-yl)acetamide
PubChem CID134136068
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC Name2-(3-methylbutylamino)-N-(4-methyl-2-oxochromen-7-yl)acetamide
SMILESCc1cc(=O)oc2cc(NC(=O)CNCCC(C)C)ccc12
InChIInChI=1S/C17H22N2O3/c1-11(2)6-7-18-10-16(20)19-13-4-5-14-12(3)8-17(21)22-15(14)9-13/h4-5,8-9,11,18H,6-7,10H2,1-3H3,(H,19,20)
InChIKeyLUEZECVEKJTYKX-UHFFFAOYSA-N
XLogP2.68
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methylbutylamino)-N-(4-methyl-2-oxochromen-7-yl)acetamide?
The IUPAC name of 2-(3-methylbutylamino)-N-(4-methyl-2-oxochromen-7-yl)acetamide (CID 134136068) is 2-(3-methylbutylamino)-N-(4-methyl-2-oxochromen-7-yl)acetamide.
What is the SMILES notation for 2-(3-methylbutylamino)-N-(4-methyl-2-oxochromen-7-yl)acetamide?
The canonical SMILES for 2-(3-methylbutylamino)-N-(4-methyl-2-oxochromen-7-yl)acetamide is Cc1cc(=O)oc2cc(NC(=O)CNCCC(C)C)ccc12.
What is the InChIKey of 2-(3-methylbutylamino)-N-(4-methyl-2-oxochromen-7-yl)acetamide?
The InChIKey is LUEZECVEKJTYKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3/c1-11(2)6-7-18-10-16(20)19-13-4-5-14-12(3)8-17(21)22-15(14)9-13/h4-5,8-9,11,18H,6-7,10H2,1-3H3,(H,19,20).
What are the key properties of 2-(3-methylbutylamino)-N-(4-methyl-2-oxochromen-7-yl)acetamide?
2-(3-methylbutylamino)-N-(4-methyl-2-oxochromen-7-yl)acetamide has a molecular weight of 302.37 g/mol, XLogP of 2.68, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylbutylamino)-N-(4-methyl-2-oxochromen-7-yl)acetamide is sourced from PubChem (CID 134136068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).