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

C14H18N2O4 — CID 39069239

IUPACN-(2-hydroxyethyl)-N-methyl-2-(7-methyl-2-oxo-3H-1,4-benzoxazin-4-yl)acetamide
SMILESCc1ccc2c(c1)OC(=O)CN2CC(=O)N(C)CCO
InChIInChI=1S/C14H18N2O4/c1-10-3-4-11-12(7-10)20-14(19)9-16(11)8-13(18)15(2)5-6-17/h3-4,7,17H,5-6,8-9H2,1-2H3
InChIKeyLIVBFWIFJWEVBE-UHFFFAOYSA-N
MW278.31 g/mol
LogP0.17
Rot. Bonds4

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

N-(2-hydroxyethyl)-N-methyl-2-(7-methyl-2-oxo-3H-1,4-benzoxazin-4-yl)acetamide (PubChem CID 39069239) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-N-methyl-2-(7-methyl-2-oxo-3H-1,4-benzoxazin-4-yl)acetamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-N-methyl-2-(7-methyl-2-oxo-3H-1,4-benzoxazin-4-yl)acetamide
PubChem CID39069239
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC NameN-(2-hydroxyethyl)-N-methyl-2-(7-methyl-2-oxo-3H-1,4-benzoxazin-4-yl)acetamide
SMILESCc1ccc2c(c1)OC(=O)CN2CC(=O)N(C)CCO
InChIInChI=1S/C14H18N2O4/c1-10-3-4-11-12(7-10)20-14(19)9-16(11)8-13(18)15(2)5-6-17/h3-4,7,17H,5-6,8-9H2,1-2H3
InChIKeyLIVBFWIFJWEVBE-UHFFFAOYSA-N
XLogP0.17
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-hydroxyethyl)-N-methyl-2-(6-methyl-2-oxo-3H-1,4-benzoxazin-4-yl)acetamide
CID 39068916
N,N-bis(2-methoxyethyl)-2-(7-methyl-2-oxo-3H-1,4-benzoxazin-4-yl)acetamide
CID 39069187
N,N-dimethyl-2-(6-methyl-2-oxo-3H-1,4-benzoxazin-4-yl)acetamide
CID 39068928
7-methyl-4-(2-morpholin-4-yl-2-oxoethyl)-3H-1,4-benzoxazin-2-one
CID 39069249
N-(4-acetamidophenyl)-2-(7-methyl-2-oxo-3H-1,4-benzoxazin-4-yl)acetamide
CID 39060264
3-[[2-(7-methyl-2-oxo-3H-1,4-benzoxazin-4-yl)acetyl]amino]propanoic acid
CID 39067795
N-ethyl-2-(7-ethylsulfonyl-2-oxo-3H-1,4-benzoxazin-4-yl)-N-(2-hydroxyethyl)acetamide
CID 39069546
ethyl 4-[[2-(7-methyl-2-oxo-3H-1,4-benzoxazin-4-yl)acetyl]amino]benzoate
CID 39059882
N-methyl-2-(7-nitro-2-oxo-3H-1,4-benzoxazin-4-yl)-N-(2-pyridin-4-ylethyl)acetamide
CID 39069406
N-butyl-N-ethyl-2-(6-methyl-2-oxo-3H-1,4-benzoxazin-4-yl)acetamide
CID 39068863
N-(9,10-dioxoanthracen-2-yl)-2-(7-methyl-2-oxo-3H-1,4-benzoxazin-4-yl)acetamide
CID 39060219
2-chloro-5-[[2-(7-methyl-2-oxo-3H-1,4-benzoxazin-4-yl)acetyl]amino]benzoic acid
CID 39060055

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-N-methyl-2-(7-methyl-2-oxo-3H-1,4-benzoxazin-4-yl)acetamide?
The IUPAC name of N-(2-hydroxyethyl)-N-methyl-2-(7-methyl-2-oxo-3H-1,4-benzoxazin-4-yl)acetamide (CID 39069239) is N-(2-hydroxyethyl)-N-methyl-2-(7-methyl-2-oxo-3H-1,4-benzoxazin-4-yl)acetamide.
What is the SMILES notation for N-(2-hydroxyethyl)-N-methyl-2-(7-methyl-2-oxo-3H-1,4-benzoxazin-4-yl)acetamide?
The canonical SMILES for N-(2-hydroxyethyl)-N-methyl-2-(7-methyl-2-oxo-3H-1,4-benzoxazin-4-yl)acetamide is Cc1ccc2c(c1)OC(=O)CN2CC(=O)N(C)CCO.
What is the InChIKey of N-(2-hydroxyethyl)-N-methyl-2-(7-methyl-2-oxo-3H-1,4-benzoxazin-4-yl)acetamide?
The InChIKey is LIVBFWIFJWEVBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-10-3-4-11-12(7-10)20-14(19)9-16(11)8-13(18)15(2)5-6-17/h3-4,7,17H,5-6,8-9H2,1-2H3.
What are the key properties of N-(2-hydroxyethyl)-N-methyl-2-(7-methyl-2-oxo-3H-1,4-benzoxazin-4-yl)acetamide?
N-(2-hydroxyethyl)-N-methyl-2-(7-methyl-2-oxo-3H-1,4-benzoxazin-4-yl)acetamide has a molecular weight of 278.31 g/mol, XLogP of 0.17, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-N-methyl-2-(7-methyl-2-oxo-3H-1,4-benzoxazin-4-yl)acetamide is sourced from PubChem (CID 39069239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).