tert-butyl 2-[[4-(phenylcarbamoyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine-7-carbonyl]amino]acetate

C21H24N4O5 — CID 58346279

IUPACtert-butyl 2-[[4-(phenylcarbamoyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine-7-carbonyl]amino]acetate
SMILESCC(C)(C)OC(=O)CNC(=O)c1cnc2c(c1)OCCN2C(=O)Nc1ccccc1
InChIInChI=1S/C21H24N4O5/c1-21(2,3)30-17(26)13-23-19(27)14-11-16-18(22-12-14)25(9-10-29-16)20(28)24-15-7-5-4-6-8-15/h4-8,11-12H,9-10,13H2,1-3H3,(H,23,27)(H,24,28)
InChIKeyZGDCLQKWIWZLBK-UHFFFAOYSA-N
MW412.45 g/mol
LogP2.58
Rot. Bonds4

About tert-butyl 2-[[4-(phenylcarbamoyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine-7-carbonyl]amino]acetate

tert-butyl 2-[[4-(phenylcarbamoyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine-7-carbonyl]amino]acetate (PubChem CID 58346279) has the molecular formula C21H24N4O5 and a molecular weight of 412.45 g/mol. Its IUPAC name is tert-butyl 2-[[4-(phenylcarbamoyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine-7-carbonyl]amino]acetate.

Molecular Properties

Compound Nametert-butyl 2-[[4-(phenylcarbamoyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine-7-carbonyl]amino]acetate
PubChem CID58346279
Molecular FormulaC21H24N4O5
Molecular Weight412.45 g/mol
Exact Mass412.17
IUPAC Nametert-butyl 2-[[4-(phenylcarbamoyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine-7-carbonyl]amino]acetate
SMILESCC(C)(C)OC(=O)CNC(=O)c1cnc2c(c1)OCCN2C(=O)Nc1ccccc1
InChIInChI=1S/C21H24N4O5/c1-21(2,3)30-17(26)13-23-19(27)14-11-16-18(22-12-14)25(9-10-29-16)20(28)24-15-7-5-4-6-8-15/h4-8,11-12H,9-10,13H2,1-3H3,(H,23,27)(H,24,28)
InChIKeyZGDCLQKWIWZLBK-UHFFFAOYSA-N
XLogP2.58
TPSA109.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.45
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze tert-butyl 2-[[4-(phenylcarbamoyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine-7-carbonyl]amino]acetate with MolForge

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Related Compounds

tert-butyl 4-[4-(phenylcarbamoyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl]piperazine-1-carboxylate
CID 58346017
4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]-3-[[4-(phenylcarbamoyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]amino]benzoic acid
CID 58346146
2-[[4-(phenylcarbamoyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine-6-carbonyl]amino]acetic acid
CID 58346019
6-[[4-(phenylcarbamoyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]amino]pyridine-3-carboxylic acid
CID 58346095
7-(6-methoxy-1H-indol-2-yl)-N-phenyl-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide
CID 58346086
N-(4-phenoxyphenyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide
CID 58346245
N-(4-phenylmethoxyphenyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide
CID 58346268
tert-butyl 7-iodo-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxylate
CID 46737977
6-amino-N-phenyl-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide
CID 58346194
methyl 3-[4-(phenylcarbamoyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]benzoate
CID 58346088
N-(4-methylsulfanylphenyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide
CID 58346079
2-[2-[[4-(phenylcarbamoyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]amino]phenoxy]acetic acid
CID 58346121

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[[4-(phenylcarbamoyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine-7-carbonyl]amino]acetate?
The IUPAC name of tert-butyl 2-[[4-(phenylcarbamoyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine-7-carbonyl]amino]acetate (CID 58346279) is tert-butyl 2-[[4-(phenylcarbamoyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine-7-carbonyl]amino]acetate.
What is the SMILES notation for tert-butyl 2-[[4-(phenylcarbamoyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine-7-carbonyl]amino]acetate?
The canonical SMILES for tert-butyl 2-[[4-(phenylcarbamoyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine-7-carbonyl]amino]acetate is CC(C)(C)OC(=O)CNC(=O)c1cnc2c(c1)OCCN2C(=O)Nc1ccccc1.
What is the InChIKey of tert-butyl 2-[[4-(phenylcarbamoyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine-7-carbonyl]amino]acetate?
The InChIKey is ZGDCLQKWIWZLBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O5/c1-21(2,3)30-17(26)13-23-19(27)14-11-16-18(22-12-14)25(9-10-29-16)20(28)24-15-7-5-4-6-8-15/h4-8,11-12H,9-10,13H2,1-3H3,(H,23,27)(H,24,28).
What are the key properties of tert-butyl 2-[[4-(phenylcarbamoyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine-7-carbonyl]amino]acetate?
tert-butyl 2-[[4-(phenylcarbamoyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine-7-carbonyl]amino]acetate has a molecular weight of 412.45 g/mol, XLogP of 2.58, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[[4-(phenylcarbamoyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine-7-carbonyl]amino]acetate is sourced from PubChem (CID 58346279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).