2-(6-chloro-2-oxo-3H-1,4-benzoxazin-4-yl)-N,N-bis(2-methoxyethyl)acetamide

C16H21ClN2O5 — CID 39069021

IUPAC2-(6-chloro-2-oxo-3H-1,4-benzoxazin-4-yl)-N,N-bis(2-methoxyethyl)acetamide
SMILESCOCCN(CCOC)C(=O)CN1CC(=O)Oc2ccc(Cl)cc21
InChIInChI=1S/C16H21ClN2O5/c1-22-7-5-18(6-8-23-2)15(20)10-19-11-16(21)24-14-4-3-12(17)9-13(14)19/h3-4,9H,5-8,10-11H2,1-2H3
InChIKeyMWDFWHBAJRHSDU-UHFFFAOYSA-N
MW356.81 g/mol
LogP1.19
Rot. Bonds8

About 2-(6-chloro-2-oxo-3H-1,4-benzoxazin-4-yl)-N,N-bis(2-methoxyethyl)acetamide

2-(6-chloro-2-oxo-3H-1,4-benzoxazin-4-yl)-N,N-bis(2-methoxyethyl)acetamide (PubChem CID 39069021) has the molecular formula C16H21ClN2O5 and a molecular weight of 356.81 g/mol. Its IUPAC name is 2-(6-chloro-2-oxo-3H-1,4-benzoxazin-4-yl)-N,N-bis(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-(6-chloro-2-oxo-3H-1,4-benzoxazin-4-yl)-N,N-bis(2-methoxyethyl)acetamide
PubChem CID39069021
Molecular FormulaC16H21ClN2O5
Molecular Weight356.81 g/mol
Exact Mass356.11
IUPAC Name2-(6-chloro-2-oxo-3H-1,4-benzoxazin-4-yl)-N,N-bis(2-methoxyethyl)acetamide
SMILESCOCCN(CCOC)C(=O)CN1CC(=O)Oc2ccc(Cl)cc21
InChIInChI=1S/C16H21ClN2O5/c1-22-7-5-18(6-8-23-2)15(20)10-19-11-16(21)24-14-4-3-12(17)9-13(14)19/h3-4,9H,5-8,10-11H2,1-2H3
InChIKeyMWDFWHBAJRHSDU-UHFFFAOYSA-N
XLogP1.19
TPSA68.31 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.81
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(6-chloro-2-oxo-3H-1,4-benzoxazin-4-yl)-N-(2-methoxyethyl)acetamide
CID 39067403
N,N-bis(2-methoxyethyl)-2-(7-methyl-2-oxo-3H-1,4-benzoxazin-4-yl)acetamide
CID 39069187
N-tert-butyl-2-(6-chloro-2-oxo-3H-1,4-benzoxazin-4-yl)-N-ethylacetamide
CID 39068952
ethyl 1-[2-(6-chloro-2-oxo-3H-1,4-benzoxazin-4-yl)acetyl]piperidine-4-carboxylate
CID 39068993
2-(6-chloro-2-oxo-3H-1,4-benzoxazin-4-yl)-N-prop-2-enylacetamide
CID 39067359
2-(6-chloro-2-oxo-3H-1,4-benzoxazin-4-yl)-N-[3-(dimethylamino)propyl]acetamide
CID 39067406
2-(6-chloro-2-oxo-3H-1,4-benzoxazin-4-yl)-N-(2-hydroxyethyl)acetamide
CID 39067301
methyl 4-chloro-3-[[2-(6-chloro-2-oxo-3H-1,4-benzoxazin-4-yl)acetyl]amino]benzoate
CID 39059735
2-(6-chloro-2-oxo-3H-1,4-benzoxazin-4-yl)-N-(2,5-dimethoxyphenyl)acetamide
CID 39059673
N-(5-acetamido-2-methoxyphenyl)-2-(6-chloro-2-oxo-3H-1,4-benzoxazin-4-yl)acetamide
CID 56761541
N-butyl-N-ethyl-2-(6-methyl-2-oxo-3H-1,4-benzoxazin-4-yl)acetamide
CID 39068863
N,N-dimethyl-2-(6-methyl-2-oxo-3H-1,4-benzoxazin-4-yl)acetamide
CID 39068928

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-2-oxo-3H-1,4-benzoxazin-4-yl)-N,N-bis(2-methoxyethyl)acetamide?
The IUPAC name of 2-(6-chloro-2-oxo-3H-1,4-benzoxazin-4-yl)-N,N-bis(2-methoxyethyl)acetamide (CID 39069021) is 2-(6-chloro-2-oxo-3H-1,4-benzoxazin-4-yl)-N,N-bis(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-(6-chloro-2-oxo-3H-1,4-benzoxazin-4-yl)-N,N-bis(2-methoxyethyl)acetamide?
The canonical SMILES for 2-(6-chloro-2-oxo-3H-1,4-benzoxazin-4-yl)-N,N-bis(2-methoxyethyl)acetamide is COCCN(CCOC)C(=O)CN1CC(=O)Oc2ccc(Cl)cc21.
What is the InChIKey of 2-(6-chloro-2-oxo-3H-1,4-benzoxazin-4-yl)-N,N-bis(2-methoxyethyl)acetamide?
The InChIKey is MWDFWHBAJRHSDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2O5/c1-22-7-5-18(6-8-23-2)15(20)10-19-11-16(21)24-14-4-3-12(17)9-13(14)19/h3-4,9H,5-8,10-11H2,1-2H3.
What are the key properties of 2-(6-chloro-2-oxo-3H-1,4-benzoxazin-4-yl)-N,N-bis(2-methoxyethyl)acetamide?
2-(6-chloro-2-oxo-3H-1,4-benzoxazin-4-yl)-N,N-bis(2-methoxyethyl)acetamide has a molecular weight of 356.81 g/mol, XLogP of 1.19, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-2-oxo-3H-1,4-benzoxazin-4-yl)-N,N-bis(2-methoxyethyl)acetamide is sourced from PubChem (CID 39069021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).