4-[2-(2-methoxyanilino)-2-oxoethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide

C18H19N3O4 — CID 42914286

IUPAC4-[2-(2-methoxyanilino)-2-oxoethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide
SMILESCOc1ccccc1NC(=O)CN1CC(C(N)=O)Oc2ccccc21
InChIInChI=1S/C18H19N3O4/c1-24-14-8-4-2-6-12(14)20-17(22)11-21-10-16(18(19)23)25-15-9-5-3-7-13(15)21/h2-9,16H,10-11H2,1H3,(H2,19,23)(H,20,22)
InChIKeySLHFAQWGHHAXBI-UHFFFAOYSA-N
MW341.37 g/mol
LogP1.39
Rot. Bonds5

About 4-[2-(2-methoxyanilino)-2-oxoethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide

4-[2-(2-methoxyanilino)-2-oxoethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide (PubChem CID 42914286) has the molecular formula C18H19N3O4 and a molecular weight of 341.37 g/mol. Its IUPAC name is 4-[2-(2-methoxyanilino)-2-oxoethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide.

Molecular Properties

Compound Name4-[2-(2-methoxyanilino)-2-oxoethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide
PubChem CID42914286
Molecular FormulaC18H19N3O4
Molecular Weight341.37 g/mol
Exact Mass341.14
IUPAC Name4-[2-(2-methoxyanilino)-2-oxoethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide
SMILESCOc1ccccc1NC(=O)CN1CC(C(N)=O)Oc2ccccc21
InChIInChI=1S/C18H19N3O4/c1-24-14-8-4-2-6-12(14)20-17(22)11-21-10-16(18(19)23)25-15-9-5-3-7-13(15)21/h2-9,16H,10-11H2,1H3,(H2,19,23)(H,20,22)
InChIKeySLHFAQWGHHAXBI-UHFFFAOYSA-N
XLogP1.39
TPSA93.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methoxyphenyl)-2-[(2R)-2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]acetamide
CID 25344509
(2R)-4-[2-[2-(4-chlorophenyl)sulfanylanilino]-2-oxoethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 25375648
N-(2,5-dimethoxyphenyl)-2-[(2R)-2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]acetamide
CID 25359216
N-(2-methoxyphenyl)-2-[(2R)-2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl]acetamide
CID 92875312
(2S)-4-[2-[[(2S)-butan-2-yl]amino]-2-oxoethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 25387543
4-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 46615279
4-[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl]-N-propyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 42890517
(2R)-4-[2-(diethylamino)-2-oxoethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 8850747
(2R)-4-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 25360259
2-(2-ethyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2-methoxyphenyl)acetamide
CID 653285
(2S)-4-prop-2-enyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 8834015
(2S)-4-[2-(2-methoxyphenoxy)ethyl]-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 94032393

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-methoxyanilino)-2-oxoethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide?
The IUPAC name of 4-[2-(2-methoxyanilino)-2-oxoethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide (CID 42914286) is 4-[2-(2-methoxyanilino)-2-oxoethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide.
What is the SMILES notation for 4-[2-(2-methoxyanilino)-2-oxoethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide?
The canonical SMILES for 4-[2-(2-methoxyanilino)-2-oxoethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide is COc1ccccc1NC(=O)CN1CC(C(N)=O)Oc2ccccc21.
What is the InChIKey of 4-[2-(2-methoxyanilino)-2-oxoethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide?
The InChIKey is SLHFAQWGHHAXBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O4/c1-24-14-8-4-2-6-12(14)20-17(22)11-21-10-16(18(19)23)25-15-9-5-3-7-13(15)21/h2-9,16H,10-11H2,1H3,(H2,19,23)(H,20,22).
What are the key properties of 4-[2-(2-methoxyanilino)-2-oxoethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide?
4-[2-(2-methoxyanilino)-2-oxoethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide has a molecular weight of 341.37 g/mol, XLogP of 1.39, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-methoxyanilino)-2-oxoethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide is sourced from PubChem (CID 42914286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).