N-cyclopropyl-3-(2,6-dimethyl-3-oxo-1,4-benzoxazin-4-yl)propanamide

C16H20N2O3 — CID 3239158

IUPACN-cyclopropyl-3-(2,6-dimethyl-3-oxo-1,4-benzoxazin-4-yl)propanamide
SMILESCc1ccc2c(c1)N(CCC(=O)NC1CC1)C(=O)C(C)O2
InChIInChI=1S/C16H20N2O3/c1-10-3-6-14-13(9-10)18(16(20)11(2)21-14)8-7-15(19)17-12-4-5-12/h3,6,9,11-12H,4-5,7-8H2,1-2H3,(H,17,19)
InChIKeySJOSFZUKAWVQJN-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.78
Rot. Bonds4

About N-cyclopropyl-3-(2,6-dimethyl-3-oxo-1,4-benzoxazin-4-yl)propanamide

N-cyclopropyl-3-(2,6-dimethyl-3-oxo-1,4-benzoxazin-4-yl)propanamide (PubChem CID 3239158) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is N-cyclopropyl-3-(2,6-dimethyl-3-oxo-1,4-benzoxazin-4-yl)propanamide.

Molecular Properties

Compound NameN-cyclopropyl-3-(2,6-dimethyl-3-oxo-1,4-benzoxazin-4-yl)propanamide
PubChem CID3239158
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC NameN-cyclopropyl-3-(2,6-dimethyl-3-oxo-1,4-benzoxazin-4-yl)propanamide
SMILESCc1ccc2c(c1)N(CCC(=O)NC1CC1)C(=O)C(C)O2
InChIInChI=1S/C16H20N2O3/c1-10-3-6-14-13(9-10)18(16(20)11(2)21-14)8-7-15(19)17-12-4-5-12/h3,6,9,11-12H,4-5,7-8H2,1-2H3,(H,17,19)
InChIKeySJOSFZUKAWVQJN-UHFFFAOYSA-N
XLogP1.78
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-(2,6-dimethyl-3-oxo-1,4-benzoxazin-4-yl)propanamide?
The IUPAC name of N-cyclopropyl-3-(2,6-dimethyl-3-oxo-1,4-benzoxazin-4-yl)propanamide (CID 3239158) is N-cyclopropyl-3-(2,6-dimethyl-3-oxo-1,4-benzoxazin-4-yl)propanamide.
What is the SMILES notation for N-cyclopropyl-3-(2,6-dimethyl-3-oxo-1,4-benzoxazin-4-yl)propanamide?
The canonical SMILES for N-cyclopropyl-3-(2,6-dimethyl-3-oxo-1,4-benzoxazin-4-yl)propanamide is Cc1ccc2c(c1)N(CCC(=O)NC1CC1)C(=O)C(C)O2.
What is the InChIKey of N-cyclopropyl-3-(2,6-dimethyl-3-oxo-1,4-benzoxazin-4-yl)propanamide?
The InChIKey is SJOSFZUKAWVQJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-10-3-6-14-13(9-10)18(16(20)11(2)21-14)8-7-15(19)17-12-4-5-12/h3,6,9,11-12H,4-5,7-8H2,1-2H3,(H,17,19).
What are the key properties of N-cyclopropyl-3-(2,6-dimethyl-3-oxo-1,4-benzoxazin-4-yl)propanamide?
N-cyclopropyl-3-(2,6-dimethyl-3-oxo-1,4-benzoxazin-4-yl)propanamide has a molecular weight of 288.35 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-(2,6-dimethyl-3-oxo-1,4-benzoxazin-4-yl)propanamide is sourced from PubChem (CID 3239158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).