methyl 2-(2-aminoethyl)-4-ethyl-3-oxo-1,4-benzoxazine-6-carboxylate

C14H18N2O4 — CID 145271121

IUPACmethyl 2-(2-aminoethyl)-4-ethyl-3-oxo-1,4-benzoxazine-6-carboxylate
SMILESCCN1C(=O)C(CCN)Oc2ccc(C(=O)OC)cc21
InChIInChI=1S/C14H18N2O4/c1-3-16-10-8-9(14(18)19-2)4-5-11(10)20-12(6-7-15)13(16)17/h4-5,8,12H,3,6-7,15H2,1-2H3
InChIKeySDFJZWHQZZTNMP-UHFFFAOYSA-N
MW278.31 g/mol
LogP0.94
Rot. Bonds4

About methyl 2-(2-aminoethyl)-4-ethyl-3-oxo-1,4-benzoxazine-6-carboxylate

methyl 2-(2-aminoethyl)-4-ethyl-3-oxo-1,4-benzoxazine-6-carboxylate (PubChem CID 145271121) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is methyl 2-(2-aminoethyl)-4-ethyl-3-oxo-1,4-benzoxazine-6-carboxylate.

Molecular Properties

Compound Namemethyl 2-(2-aminoethyl)-4-ethyl-3-oxo-1,4-benzoxazine-6-carboxylate
PubChem CID145271121
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Namemethyl 2-(2-aminoethyl)-4-ethyl-3-oxo-1,4-benzoxazine-6-carboxylate
SMILESCCN1C(=O)C(CCN)Oc2ccc(C(=O)OC)cc21
InChIInChI=1S/C14H18N2O4/c1-3-16-10-8-9(14(18)19-2)4-5-11(10)20-12(6-7-15)13(16)17/h4-5,8,12H,3,6-7,15H2,1-2H3
InChIKeySDFJZWHQZZTNMP-UHFFFAOYSA-N
XLogP0.94
TPSA81.86 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 ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Launch Full Analysis

Related Compounds

methyl (2R)-2,4-diethyl-3-oxo-1,4-benzoxazine-7-carboxylate
CID 10635262
2-(2-aminoethyl)-4-[(4-methoxyphenyl)methyl]-3-oxo-1,4-benzoxazine-6-carboxylic acid
CID 137356115
methyl 2-ethyl-3-oxo-4-propyl-1,4-benzoxazine-7-carboxylate
CID 70261480
4-(2-aminoethyl)-2,6-diethyl-1,4-benzoxazin-3-one
CID 82142313
2-(2-aminoethyl)-6-bromo-4-methyl-1,4-benzoxazin-3-one
CID 82233839
methyl 2-(2-hydroxyethyl)-3,5-dioxo-1-benzoxepine-7-carboxylate
CID 139792108
6-acetyl-2-butyl-4-methyl-1,4-benzoxazin-3-one
CID 11507201
(2R)-2,4-diethyl-1,4-benzoxazin-3-one
CID 140970605
methyl 3-[(2,6-dimethyl-3-oxo-1,4-benzoxazin-4-yl)methyl]benzoate
CID 23411196
methyl 4-hexyl-2,2-dimethyl-3-oxo-1,4-benzoxazine-6-carboxylate
CID 10615590
methyl 4-(cyclobutylmethyl)-3-oxo-1,4-benzoxazine-6-carboxylate
CID 126655700
methyl 4-ethyl-1,1,3-trioxo-1λ6,4-benzothiazine-6-carboxylate
CID 67635979

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-aminoethyl)-4-ethyl-3-oxo-1,4-benzoxazine-6-carboxylate?
The IUPAC name of methyl 2-(2-aminoethyl)-4-ethyl-3-oxo-1,4-benzoxazine-6-carboxylate (CID 145271121) is methyl 2-(2-aminoethyl)-4-ethyl-3-oxo-1,4-benzoxazine-6-carboxylate.
What is the SMILES notation for methyl 2-(2-aminoethyl)-4-ethyl-3-oxo-1,4-benzoxazine-6-carboxylate?
The canonical SMILES for methyl 2-(2-aminoethyl)-4-ethyl-3-oxo-1,4-benzoxazine-6-carboxylate is CCN1C(=O)C(CCN)Oc2ccc(C(=O)OC)cc21.
What is the InChIKey of methyl 2-(2-aminoethyl)-4-ethyl-3-oxo-1,4-benzoxazine-6-carboxylate?
The InChIKey is SDFJZWHQZZTNMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-3-16-10-8-9(14(18)19-2)4-5-11(10)20-12(6-7-15)13(16)17/h4-5,8,12H,3,6-7,15H2,1-2H3.
What are the key properties of methyl 2-(2-aminoethyl)-4-ethyl-3-oxo-1,4-benzoxazine-6-carboxylate?
methyl 2-(2-aminoethyl)-4-ethyl-3-oxo-1,4-benzoxazine-6-carboxylate has a molecular weight of 278.31 g/mol, XLogP of 0.94, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-aminoethyl)-4-ethyl-3-oxo-1,4-benzoxazine-6-carboxylate is sourced from PubChem (CID 145271121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).