N,N-bis(2-methoxyethyl)-2-(7-methyl-2-oxo-3H-1,4-benzoxazin-4-yl)acetamide

C17H24N2O5 — CID 39069187

IUPACN,N-bis(2-methoxyethyl)-2-(7-methyl-2-oxo-3H-1,4-benzoxazin-4-yl)acetamide
SMILESCOCCN(CCOC)C(=O)CN1CC(=O)Oc2cc(C)ccc21
InChIInChI=1S/C17H24N2O5/c1-13-4-5-14-15(10-13)24-17(21)12-19(14)11-16(20)18(6-8-22-2)7-9-23-3/h4-5,10H,6-9,11-12H2,1-3H3
InChIKeyZNNMJDSCBDDQJW-UHFFFAOYSA-N
MW336.39 g/mol
LogP0.84
Rot. Bonds8

About N,N-bis(2-methoxyethyl)-2-(7-methyl-2-oxo-3H-1,4-benzoxazin-4-yl)acetamide

N,N-bis(2-methoxyethyl)-2-(7-methyl-2-oxo-3H-1,4-benzoxazin-4-yl)acetamide (PubChem CID 39069187) has the molecular formula C17H24N2O5 and a molecular weight of 336.39 g/mol. Its IUPAC name is N,N-bis(2-methoxyethyl)-2-(7-methyl-2-oxo-3H-1,4-benzoxazin-4-yl)acetamide.

Molecular Properties

Compound NameN,N-bis(2-methoxyethyl)-2-(7-methyl-2-oxo-3H-1,4-benzoxazin-4-yl)acetamide
PubChem CID39069187
Molecular FormulaC17H24N2O5
Molecular Weight336.39 g/mol
Exact Mass336.17
IUPAC NameN,N-bis(2-methoxyethyl)-2-(7-methyl-2-oxo-3H-1,4-benzoxazin-4-yl)acetamide
SMILESCOCCN(CCOC)C(=O)CN1CC(=O)Oc2cc(C)ccc21
InChIInChI=1S/C17H24N2O5/c1-13-4-5-14-15(10-13)24-17(21)12-19(14)11-16(20)18(6-8-22-2)7-9-23-3/h4-5,10H,6-9,11-12H2,1-3H3
InChIKeyZNNMJDSCBDDQJW-UHFFFAOYSA-N
XLogP0.84
TPSA68.31 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 50.84
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,N-bis(2-methoxyethyl)acetamide
CID 39069021
N-(2-hydroxyethyl)-N-methyl-2-(7-methyl-2-oxo-3H-1,4-benzoxazin-4-yl)acetamide
CID 39069239
7-methyl-4-(2-morpholin-4-yl-2-oxoethyl)-3H-1,4-benzoxazin-2-one
CID 39069249
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
3-[[2-(7-methyl-2-oxo-3H-1,4-benzoxazin-4-yl)acetyl]amino]propanoic acid
CID 39067795
ethyl 4-[[2-(7-methyl-2-oxo-3H-1,4-benzoxazin-4-yl)acetyl]amino]benzoate
CID 39059882
N-(2-hydroxyethyl)-N-methyl-2-(6-methyl-2-oxo-3H-1,4-benzoxazin-4-yl)acetamide
CID 39068916
2-chloro-5-[[2-(7-methyl-2-oxo-3H-1,4-benzoxazin-4-yl)acetyl]amino]benzoic acid
CID 39060055
N-(3-cyanophenyl)-2-(7-methyl-2-oxo-3H-1,4-benzoxazin-4-yl)acetamide
CID 39060014
N-(2-methoxyethyl)-N-[(4-methylphenyl)methyl]-2-(2-oxopiperidin-1-yl)acetamide
CID 72865270
1-[2-(6-methyl-2-oxo-3H-1,4-benzoxazin-4-yl)acetyl]piperidine-4-carboxylic acid
CID 39068831

Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-methoxyethyl)-2-(7-methyl-2-oxo-3H-1,4-benzoxazin-4-yl)acetamide?
The IUPAC name of N,N-bis(2-methoxyethyl)-2-(7-methyl-2-oxo-3H-1,4-benzoxazin-4-yl)acetamide (CID 39069187) is N,N-bis(2-methoxyethyl)-2-(7-methyl-2-oxo-3H-1,4-benzoxazin-4-yl)acetamide.
What is the SMILES notation for N,N-bis(2-methoxyethyl)-2-(7-methyl-2-oxo-3H-1,4-benzoxazin-4-yl)acetamide?
The canonical SMILES for N,N-bis(2-methoxyethyl)-2-(7-methyl-2-oxo-3H-1,4-benzoxazin-4-yl)acetamide is COCCN(CCOC)C(=O)CN1CC(=O)Oc2cc(C)ccc21.
What is the InChIKey of N,N-bis(2-methoxyethyl)-2-(7-methyl-2-oxo-3H-1,4-benzoxazin-4-yl)acetamide?
The InChIKey is ZNNMJDSCBDDQJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O5/c1-13-4-5-14-15(10-13)24-17(21)12-19(14)11-16(20)18(6-8-22-2)7-9-23-3/h4-5,10H,6-9,11-12H2,1-3H3.
What are the key properties of N,N-bis(2-methoxyethyl)-2-(7-methyl-2-oxo-3H-1,4-benzoxazin-4-yl)acetamide?
N,N-bis(2-methoxyethyl)-2-(7-methyl-2-oxo-3H-1,4-benzoxazin-4-yl)acetamide has a molecular weight of 336.39 g/mol, XLogP of 0.84, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-methoxyethyl)-2-(7-methyl-2-oxo-3H-1,4-benzoxazin-4-yl)acetamide is sourced from PubChem (CID 39069187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).