N,N-diethyl-4-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]-3-oxo-1,4-benzoxazine-6-carboxamide

C23H27N3O5 — CID 53012378

IUPACN,N-diethyl-4-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]-3-oxo-1,4-benzoxazine-6-carboxamide
SMILESCCN(CC)C(=O)c1ccc2c(c1)N(CC(=O)NCc1ccccc1OC)C(=O)CO2
InChIInChI=1S/C23H27N3O5/c1-4-25(5-2)23(29)16-10-11-20-18(12-16)26(22(28)15-31-20)14-21(27)24-13-17-8-6-7-9-19(17)30-3/h6-12H,4-5,13-15H2,1-3H3,(H,24,27)
InChIKeyUUXSFKPDOMKAOW-UHFFFAOYSA-N
MW425.49 g/mol
LogP2.22
Rot. Bonds8

About N,N-diethyl-4-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]-3-oxo-1,4-benzoxazine-6-carboxamide

N,N-diethyl-4-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]-3-oxo-1,4-benzoxazine-6-carboxamide (PubChem CID 53012378) has the molecular formula C23H27N3O5 and a molecular weight of 425.49 g/mol. Its IUPAC name is N,N-diethyl-4-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]-3-oxo-1,4-benzoxazine-6-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-4-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]-3-oxo-1,4-benzoxazine-6-carboxamide
PubChem CID53012378
Molecular FormulaC23H27N3O5
Molecular Weight425.49 g/mol
Exact Mass425.20
IUPAC NameN,N-diethyl-4-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]-3-oxo-1,4-benzoxazine-6-carboxamide
SMILESCCN(CC)C(=O)c1ccc2c(c1)N(CC(=O)NCc1ccccc1OC)C(=O)CO2
InChIInChI=1S/C23H27N3O5/c1-4-25(5-2)23(29)16-10-11-20-18(12-16)26(22(28)15-31-20)14-21(27)24-13-17-8-6-7-9-19(17)30-3/h6-12H,4-5,13-15H2,1-3H3,(H,24,27)
InChIKeyUUXSFKPDOMKAOW-UHFFFAOYSA-N
XLogP2.22
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.49
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]-N,N-diethyl-3-oxo-1,4-benzoxazine-6-carboxamide
CID 53012348
2-[6-(diethylsulfamoyl)-3-oxo-1,4-benzoxazin-4-yl]-N-[(2-methoxyphenyl)methyl]acetamide
CID 122175522
N,N-diethyl-4-[2-(ethylamino)-2-oxoethyl]-3-oxo-1,4-benzoxazine-6-carboxamide
CID 53012395
N,N-diethyl-3-oxo-4-[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl]-1,4-benzoxazine-6-carboxamide
CID 53023754
N,N-diethyl-4-[2-(3-methylanilino)-2-oxoethyl]-3-oxo-1,4-benzoxazine-6-carboxamide
CID 53012392
4-[2-(2-ethylanilino)-2-oxoethyl]-N,N-dimethyl-3-oxo-1,4-benzoxazine-6-carboxamide
CID 53012300
N-[(2-chlorophenyl)methyl]-2-[6-(diethylsulfamoyl)-3-oxo-1,4-benzoxazin-4-yl]acetamide
CID 20861488
N-ethyl-2-[3-oxo-6-(2-phenoxyacetyl)-1,4-benzoxazin-4-yl]acetamide
CID 42847180
N,N-diethyl-4-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-3-oxo-1,4-benzoxazine-6-carboxamide
CID 53012382
4-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-N,N-diethyl-3-oxo-1,4-benzoxazine-6-carboxamide
CID 53023756
2-[(1R,2S,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-N-[(2-methoxyphenyl)methyl]acetamide
CID 98182224
N-(2-ethylphenyl)-2-[3-oxo-6-(pyrrolidine-1-carbonyl)-1,4-benzoxazin-4-yl]acetamide
CID 53012227

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]-3-oxo-1,4-benzoxazine-6-carboxamide?
The IUPAC name of N,N-diethyl-4-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]-3-oxo-1,4-benzoxazine-6-carboxamide (CID 53012378) is N,N-diethyl-4-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]-3-oxo-1,4-benzoxazine-6-carboxamide.
What is the SMILES notation for N,N-diethyl-4-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]-3-oxo-1,4-benzoxazine-6-carboxamide?
The canonical SMILES for N,N-diethyl-4-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]-3-oxo-1,4-benzoxazine-6-carboxamide is CCN(CC)C(=O)c1ccc2c(c1)N(CC(=O)NCc1ccccc1OC)C(=O)CO2.
What is the InChIKey of N,N-diethyl-4-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]-3-oxo-1,4-benzoxazine-6-carboxamide?
The InChIKey is UUXSFKPDOMKAOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O5/c1-4-25(5-2)23(29)16-10-11-20-18(12-16)26(22(28)15-31-20)14-21(27)24-13-17-8-6-7-9-19(17)30-3/h6-12H,4-5,13-15H2,1-3H3,(H,24,27).
What are the key properties of N,N-diethyl-4-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]-3-oxo-1,4-benzoxazine-6-carboxamide?
N,N-diethyl-4-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]-3-oxo-1,4-benzoxazine-6-carboxamide has a molecular weight of 425.49 g/mol, XLogP of 2.22, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]-3-oxo-1,4-benzoxazine-6-carboxamide is sourced from PubChem (CID 53012378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).