2-methyl-N-(2-oxochromen-6-yl)butanamide

C14H15NO3 — CID 47294321

IUPAC2-methyl-N-(2-oxochromen-6-yl)butanamide
SMILESCCC(C)C(=O)Nc1ccc2oc(=O)ccc2c1
InChIInChI=1S/C14H15NO3/c1-3-9(2)14(17)15-11-5-6-12-10(8-11)4-7-13(16)18-12/h4-9H,3H2,1-2H3,(H,15,17)
InChIKeyHYABZOLPQNOSFW-UHFFFAOYSA-N
MW245.28 g/mol
LogP2.78
Rot. Bonds3

About 2-methyl-N-(2-oxochromen-6-yl)butanamide

2-methyl-N-(2-oxochromen-6-yl)butanamide (PubChem CID 47294321) has the molecular formula C14H15NO3 and a molecular weight of 245.28 g/mol. Its IUPAC name is 2-methyl-N-(2-oxochromen-6-yl)butanamide.

Molecular Properties

Compound Name2-methyl-N-(2-oxochromen-6-yl)butanamide
PubChem CID47294321
Molecular FormulaC14H15NO3
Molecular Weight245.28 g/mol
Exact Mass245.11
IUPAC Name2-methyl-N-(2-oxochromen-6-yl)butanamide
SMILESCCC(C)C(=O)Nc1ccc2oc(=O)ccc2c1
InChIInChI=1S/C14H15NO3/c1-3-9(2)14(17)15-11-5-6-12-10(8-11)4-7-13(16)18-12/h4-9H,3H2,1-2H3,(H,15,17)
InChIKeyHYABZOLPQNOSFW-UHFFFAOYSA-N
XLogP2.78
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2-oxochromen-6-yl)carbamic acid
CID 18427920
2-methyl-N-[(2-oxochromen-6-yl)carbamothioyl]propanamide
CID 953736
2-amino-N-(2-oxochromen-6-yl)-3-phenylpropanamide;hydrochloride
CID 139945933
1-(1-methoxypropan-2-yl)-3-(2-oxochromen-6-yl)urea
CID 75417545
2-(3-methyl-4-propan-2-ylphenoxy)-N-(2-oxochromen-6-yl)propanamide
CID 55978454
1-(4-hydroxyphenyl)-3-(2-oxochromen-6-yl)urea
CID 99832234
(2R)-2-[(3aR,7aR)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-4-methyl-N-(2-oxochromen-6-yl)pentanamide
CID 124840322
1-ethyl-1-[(1S)-1-(3-hydroxyphenyl)ethyl]-3-(2-oxochromen-6-yl)urea
CID 95163567
2-(2-methoxyethoxy)-N-(2-oxochromen-6-yl)acetamide
CID 60580990
(4R)-N-(2-oxochromen-6-yl)-4-propan-2-ylazepane-1-carboxamide
CID 99808304
N'-hydroxy-N-(2-oxochromen-6-yl)octanediamide
CID 86581290
N-[(2-oxochromen-6-yl)carbamothioyl]hexanamide
CID 2958923

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-oxochromen-6-yl)butanamide?
The IUPAC name of 2-methyl-N-(2-oxochromen-6-yl)butanamide (CID 47294321) is 2-methyl-N-(2-oxochromen-6-yl)butanamide.
What is the SMILES notation for 2-methyl-N-(2-oxochromen-6-yl)butanamide?
The canonical SMILES for 2-methyl-N-(2-oxochromen-6-yl)butanamide is CCC(C)C(=O)Nc1ccc2oc(=O)ccc2c1.
What is the InChIKey of 2-methyl-N-(2-oxochromen-6-yl)butanamide?
The InChIKey is HYABZOLPQNOSFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3/c1-3-9(2)14(17)15-11-5-6-12-10(8-11)4-7-13(16)18-12/h4-9H,3H2,1-2H3,(H,15,17).
What are the key properties of 2-methyl-N-(2-oxochromen-6-yl)butanamide?
2-methyl-N-(2-oxochromen-6-yl)butanamide has a molecular weight of 245.28 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-oxochromen-6-yl)butanamide is sourced from PubChem (CID 47294321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).