N-[2-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)ethyl]propanamide

C14H18N2O3 — CID 110789967

IUPACN-[2-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)ethyl]propanamide
SMILESCCC(=O)NCCc1ccc2c(c1)N(C)C(=O)CO2
InChIInChI=1S/C14H18N2O3/c1-3-13(17)15-7-6-10-4-5-12-11(8-10)16(2)14(18)9-19-12/h4-5,8H,3,6-7,9H2,1-2H3,(H,15,17)
InChIKeyVZYKGNHUEOERCF-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.11
Rot. Bonds4

About N-[2-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)ethyl]propanamide

N-[2-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)ethyl]propanamide (PubChem CID 110789967) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is N-[2-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)ethyl]propanamide.

Molecular Properties

Compound NameN-[2-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)ethyl]propanamide
PubChem CID110789967
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC NameN-[2-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)ethyl]propanamide
SMILESCCC(=O)NCCc1ccc2c(c1)N(C)C(=O)CO2
InChIInChI=1S/C14H18N2O3/c1-3-13(17)15-7-6-10-4-5-12-11(8-10)16(2)14(18)9-19-12/h4-5,8H,3,6-7,9H2,1-2H3,(H,15,17)
InChIKeyVZYKGNHUEOERCF-UHFFFAOYSA-N
XLogP1.11
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)ethyl]carbamoyl bromide
CID 115193948
N-[2-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)ethyl]cyclopropanecarboxamide
CID 110789970
N-[2-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)ethyl]-3-thiophen-2-ylpropanamide
CID 110790010
4-chloro-N-[2-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)ethyl]benzamide
CID 110790000
N-[2-(2-fluorophenyl)ethyl]-2-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)acetamide
CID 110770418
6-[2-(aminomethylamino)ethyl]-4-methyl-1,4-benzoxazin-3-one
CID 115226078
N-butan-2-yl-2-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)acetamide
CID 110770380
6-[3-(ethylamino)propyl]-4-methyl-1,4-benzoxazin-3-one
CID 96663294
2-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-N-(2-methylpropyl)acetamide
CID 110770379
N-[2-(4-fluorophenyl)ethyl]-4-methyl-3-oxo-1,4-benzoxazine-6-carboxamide
CID 110763854
2-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-N-[(4-methylphenyl)methyl]acetamide
CID 110770402
N-methyl-N-[2-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)ethyl]carbamoyl bromide
CID 115194115

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)ethyl]propanamide?
The IUPAC name of N-[2-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)ethyl]propanamide (CID 110789967) is N-[2-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)ethyl]propanamide.
What is the SMILES notation for N-[2-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)ethyl]propanamide?
The canonical SMILES for N-[2-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)ethyl]propanamide is CCC(=O)NCCc1ccc2c(c1)N(C)C(=O)CO2.
What is the InChIKey of N-[2-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)ethyl]propanamide?
The InChIKey is VZYKGNHUEOERCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-3-13(17)15-7-6-10-4-5-12-11(8-10)16(2)14(18)9-19-12/h4-5,8H,3,6-7,9H2,1-2H3,(H,15,17).
What are the key properties of N-[2-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)ethyl]propanamide?
N-[2-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)ethyl]propanamide has a molecular weight of 262.31 g/mol, XLogP of 1.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)ethyl]propanamide is sourced from PubChem (CID 110789967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).