2-[6-(1-aminobutyl)-2-ethyl-3-oxo-1,4-benzoxazin-4-yl]acetamide

C16H23N3O3 — CID 82028591

IUPAC2-[6-(1-aminobutyl)-2-ethyl-3-oxo-1,4-benzoxazin-4-yl]acetamide
SMILESCCCC(N)c1ccc2c(c1)N(CC(N)=O)C(=O)C(CC)O2
InChIInChI=1S/C16H23N3O3/c1-3-5-11(17)10-6-7-14-12(8-10)19(9-15(18)20)16(21)13(4-2)22-14/h6-8,11,13H,3-5,9,17H2,1-2H3,(H2,18,20)
InChIKeySLJHCYVLSLGHLU-UHFFFAOYSA-N
MW305.38 g/mol
LogP1.48
Rot. Bonds6

About 2-[6-(1-aminobutyl)-2-ethyl-3-oxo-1,4-benzoxazin-4-yl]acetamide

2-[6-(1-aminobutyl)-2-ethyl-3-oxo-1,4-benzoxazin-4-yl]acetamide (PubChem CID 82028591) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is 2-[6-(1-aminobutyl)-2-ethyl-3-oxo-1,4-benzoxazin-4-yl]acetamide.

Molecular Properties

Compound Name2-[6-(1-aminobutyl)-2-ethyl-3-oxo-1,4-benzoxazin-4-yl]acetamide
PubChem CID82028591
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC Name2-[6-(1-aminobutyl)-2-ethyl-3-oxo-1,4-benzoxazin-4-yl]acetamide
SMILESCCCC(N)c1ccc2c(c1)N(CC(N)=O)C(=O)C(CC)O2
InChIInChI=1S/C16H23N3O3/c1-3-5-11(17)10-6-7-14-12(8-10)19(9-15(18)20)16(21)13(4-2)22-14/h6-8,11,13H,3-5,9,17H2,1-2H3,(H2,18,20)
InChIKeySLJHCYVLSLGHLU-UHFFFAOYSA-N
XLogP1.48
TPSA98.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(1-aminopropyl)-2-ethyl-4-(2-methylprop-2-enyl)-1,4-benzoxazin-3-one
CID 82025915
2-[6-(1-aminopropyl)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]acetamide
CID 82025884
2-[(2S)-6-chloro-2-ethyl-3-oxo-1,4-benzoxazin-4-yl]acetic acid
CID 7080943
6-(1-aminoethyl)-2-ethyl-4-methyl-1,4-benzoxazin-3-one
CID 82025543
2-ethyl-6-(hydroxymethyl)-4-(2-oxopropyl)-1,4-benzoxazin-3-one
CID 82338367
2-(6-acetyl-3-oxo-2-propan-2-yl-1,4-benzoxazin-4-yl)acetamide
CID 82022125
2-ethyl-6-(1-hydroxyethyl)-4-methyl-1,4-benzoxazin-3-one
CID 82354955
N-butan-2-yl-2-(2-ethyl-6-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 15997129
(2S)-2-ethyl-6-[(S)-furan-2-yl(hydroxy)methyl]-4-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-1,4-benzoxazin-3-one
CID 95803769
(2S)-2-ethyl-6-[(R)-furan-2-yl(hydroxy)methyl]-4-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-1,4-benzoxazin-3-one
CID 95803771
2,4-diethyl-6-[hydroxy(pyrrolidin-2-yl)methyl]-1,4-benzoxazin-3-one
CID 82339706
4-[2-(azepan-1-yl)-2-oxoethyl]-2-ethyl-6-methyl-1,4-benzoxazin-3-one
CID 122176492

Frequently Asked Questions

What is the IUPAC name of 2-[6-(1-aminobutyl)-2-ethyl-3-oxo-1,4-benzoxazin-4-yl]acetamide?
The IUPAC name of 2-[6-(1-aminobutyl)-2-ethyl-3-oxo-1,4-benzoxazin-4-yl]acetamide (CID 82028591) is 2-[6-(1-aminobutyl)-2-ethyl-3-oxo-1,4-benzoxazin-4-yl]acetamide.
What is the SMILES notation for 2-[6-(1-aminobutyl)-2-ethyl-3-oxo-1,4-benzoxazin-4-yl]acetamide?
The canonical SMILES for 2-[6-(1-aminobutyl)-2-ethyl-3-oxo-1,4-benzoxazin-4-yl]acetamide is CCCC(N)c1ccc2c(c1)N(CC(N)=O)C(=O)C(CC)O2.
What is the InChIKey of 2-[6-(1-aminobutyl)-2-ethyl-3-oxo-1,4-benzoxazin-4-yl]acetamide?
The InChIKey is SLJHCYVLSLGHLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3/c1-3-5-11(17)10-6-7-14-12(8-10)19(9-15(18)20)16(21)13(4-2)22-14/h6-8,11,13H,3-5,9,17H2,1-2H3,(H2,18,20).
What are the key properties of 2-[6-(1-aminobutyl)-2-ethyl-3-oxo-1,4-benzoxazin-4-yl]acetamide?
2-[6-(1-aminobutyl)-2-ethyl-3-oxo-1,4-benzoxazin-4-yl]acetamide has a molecular weight of 305.38 g/mol, XLogP of 1.48, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(1-aminobutyl)-2-ethyl-3-oxo-1,4-benzoxazin-4-yl]acetamide is sourced from PubChem (CID 82028591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).