ethane;(3S)-3-[[2-(methylamino)acetyl]amino]-4-oxo-2,3,6,7,8,8a-hexahydropyrrolo[2,1-b][1,3]oxazine-6-carboxamide;1,2,3,4-tetrahydronaphthalene

C23H36N4O4 — CID 144636410

IUPACethane;(3S)-3-[[2-(methylamino)acetyl]amino]-4-oxo-2,3,6,7,8,8a-hexahydropyrrolo[2,1-b][1,3]oxazine-6-carboxamide;1,2,3,4-tetrahydronaphthalene
SMILESCC.CNCC(=O)N[C@H]1COC2CCC(C(N)=O)N2C1=O.c1ccc2c(c1)CCCC2
InChIInChI=1S/C11H18N4O4.C10H12.C2H6/c1-13-4-8(16)14-6-5-19-9-3-2-7(10(12)17)15(9)11(6)18;1-2-6-10-8-4-3-7-9(10)5-1;1-2/h6-7,9,13H,2-5H2,1H3,(H2,12,17)(H,14,16);1-2,5-6H,3-4,7-8H2;1-2H3/t6-,7?,9?;;/m0../s1
InChIKeyNUCYVUQZQDRSFB-IITPSBIRSA-N
MW432.57 g/mol
LogP1.11
Rot. Bonds4

About ethane;(3S)-3-[[2-(methylamino)acetyl]amino]-4-oxo-2,3,6,7,8,8a-hexahydropyrrolo[2,1-b][1,3]oxazine-6-carboxamide;1,2,3,4-tetrahydronaphthalene

ethane;(3S)-3-[[2-(methylamino)acetyl]amino]-4-oxo-2,3,6,7,8,8a-hexahydropyrrolo[2,1-b][1,3]oxazine-6-carboxamide;1,2,3,4-tetrahydronaphthalene (PubChem CID 144636410) has the molecular formula C23H36N4O4 and a molecular weight of 432.57 g/mol. Its IUPAC name is ethane;(3S)-3-[[2-(methylamino)acetyl]amino]-4-oxo-2,3,6,7,8,8a-hexahydropyrrolo[2,1-b][1,3]oxazine-6-carboxamide;1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Nameethane;(3S)-3-[[2-(methylamino)acetyl]amino]-4-oxo-2,3,6,7,8,8a-hexahydropyrrolo[2,1-b][1,3]oxazine-6-carboxamide;1,2,3,4-tetrahydronaphthalene
PubChem CID144636410
Molecular FormulaC23H36N4O4
Molecular Weight432.57 g/mol
Exact Mass432.27
IUPAC Nameethane;(3S)-3-[[2-(methylamino)acetyl]amino]-4-oxo-2,3,6,7,8,8a-hexahydropyrrolo[2,1-b][1,3]oxazine-6-carboxamide;1,2,3,4-tetrahydronaphthalene
SMILESCC.CNCC(=O)N[C@H]1COC2CCC(C(N)=O)N2C1=O.c1ccc2c(c1)CCCC2
InChIInChI=1S/C11H18N4O4.C10H12.C2H6/c1-13-4-8(16)14-6-5-19-9-3-2-7(10(12)17)15(9)11(6)18;1-2-6-10-8-4-3-7-9(10)5-1;1-2/h6-7,9,13H,2-5H2,1H3,(H2,12,17)(H,14,16);1-2,5-6H,3-4,7-8H2;1-2H3/t6-,7?,9?;;/m0../s1
InChIKeyNUCYVUQZQDRSFB-IITPSBIRSA-N
XLogP1.11
TPSA113.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.57
LogP ≤ 51.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze ethane;(3S)-3-[[2-(methylamino)acetyl]amino]-4-oxo-2,3,6,7,8,8a-hexahydropyrrolo[2,1-b][1,3]oxazine-6-carboxamide;1,2,3,4-tetrahydronaphthalene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S)-2-methyl-3-[[2-(methylamino)acetyl]amino]-4-oxo-2,3,6,7,8,8a-hexahydropyrrolo[2,1-b][1,3]oxazine-6-carboxamide;1,2,3,4-tetrahydronaphthalene
CID 144636474
(4S,7R,9aS)-4-[[2-(methylamino)acetyl]amino]-5-oxo-3,4,7,8,9,9a-hexahydro-2H-pyrrolo[2,1-b][1,3]oxazepine-7-carboxamide
CID 90201993
ethane;8-[[2-(methylamino)acetyl]amino]-7-oxo-6,17-diazatetracyclo[8.7.0.02,6.011,16]heptadeca-1(10),11,13,15-tetraene-5-carboxamide
CID 144973546
(8aS)-3-[[(2R)-2-methylbutanoyl]amino]-4-oxo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-2,3,6,7,8,8a-hexahydropyrrolo[2,1-b][1,3]oxazine-6-carboxamide
CID 160566397
(3S)-3-amino-4-oxo-2,3,6,7,8,8a-hexahydropyrrolo[2,1-b][1,3]oxazine-6-carboxamide
CID 144973606
(8aS)-N-benzyl-3-[[(2S)-2-(methylamino)propanoyl]amino]-4-oxo-2,3,6,7,8,8a-hexahydropyrrolo[2,1-b][1,3]oxazine-6-carboxamide
CID 126712402
2-(methylamino)-N-(2-oxo-1-phenylpiperidin-3-yl)acetamide
CID 119787596
(6S)-N-benzyl-3-methyl-4-oxo-2,3,6,7,8,8a-hexahydropyrrolo[2,1-b][1,3]oxazine-6-carboxamide
CID 149222772
3,4-dihydro-2H-chromene;5-[[(2S)-2-(methylamino)propanoyl]amino]-6-oxo-1,2,4,5,8,9,10,10a-octahydropyrrolo[1,2-a][1,5]diazocine-3,8-dicarboxamide
CID 171789851
16-[[(3S,6S,8aS)-3-[[(2S)-4-amino-1-[[(1S)-1-carboxy-2-phenylethyl]amino]-1,4-dioxobutan-2-yl]carbamoyl]-5-oxo-2,3,6,7,8,8a-hexahydro-[1,3]oxazolo[3,2-a]pyridin-6-yl]amino]-16-oxohexadecanoic acid
CID 59052677
(6S)-3-methyl-4-oxo-N'-phenyl-2,3,6,7,8,8a-hexahydropyrrolo[2,1-b][1,3]oxazine-6-carbohydrazide
CID 155188222
(2S)-1-[2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]-2,3-dihydroindole-2-carboxamide
CID 94794210

Frequently Asked Questions

What is the IUPAC name of ethane;(3S)-3-[[2-(methylamino)acetyl]amino]-4-oxo-2,3,6,7,8,8a-hexahydropyrrolo[2,1-b][1,3]oxazine-6-carboxamide;1,2,3,4-tetrahydronaphthalene?
The IUPAC name of ethane;(3S)-3-[[2-(methylamino)acetyl]amino]-4-oxo-2,3,6,7,8,8a-hexahydropyrrolo[2,1-b][1,3]oxazine-6-carboxamide;1,2,3,4-tetrahydronaphthalene (CID 144636410) is ethane;(3S)-3-[[2-(methylamino)acetyl]amino]-4-oxo-2,3,6,7,8,8a-hexahydropyrrolo[2,1-b][1,3]oxazine-6-carboxamide;1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for ethane;(3S)-3-[[2-(methylamino)acetyl]amino]-4-oxo-2,3,6,7,8,8a-hexahydropyrrolo[2,1-b][1,3]oxazine-6-carboxamide;1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for ethane;(3S)-3-[[2-(methylamino)acetyl]amino]-4-oxo-2,3,6,7,8,8a-hexahydropyrrolo[2,1-b][1,3]oxazine-6-carboxamide;1,2,3,4-tetrahydronaphthalene is CC.CNCC(=O)N[C@H]1COC2CCC(C(N)=O)N2C1=O.c1ccc2c(c1)CCCC2.
What is the InChIKey of ethane;(3S)-3-[[2-(methylamino)acetyl]amino]-4-oxo-2,3,6,7,8,8a-hexahydropyrrolo[2,1-b][1,3]oxazine-6-carboxamide;1,2,3,4-tetrahydronaphthalene?
The InChIKey is NUCYVUQZQDRSFB-IITPSBIRSA-N. The full InChI is InChI=1S/C11H18N4O4.C10H12.C2H6/c1-13-4-8(16)14-6-5-19-9-3-2-7(10(12)17)15(9)11(6)18;1-2-6-10-8-4-3-7-9(10)5-1;1-2/h6-7,9,13H,2-5H2,1H3,(H2,12,17)(H,14,16);1-2,5-6H,3-4,7-8H2;1-2H3/t6-,7?,9?;;/m0../s1.
What are the key properties of ethane;(3S)-3-[[2-(methylamino)acetyl]amino]-4-oxo-2,3,6,7,8,8a-hexahydropyrrolo[2,1-b][1,3]oxazine-6-carboxamide;1,2,3,4-tetrahydronaphthalene?
ethane;(3S)-3-[[2-(methylamino)acetyl]amino]-4-oxo-2,3,6,7,8,8a-hexahydropyrrolo[2,1-b][1,3]oxazine-6-carboxamide;1,2,3,4-tetrahydronaphthalene has a molecular weight of 432.57 g/mol, XLogP of 1.11, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(3S)-3-[[2-(methylamino)acetyl]amino]-4-oxo-2,3,6,7,8,8a-hexahydropyrrolo[2,1-b][1,3]oxazine-6-carboxamide;1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 144636410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).