acetic acid;N,N-di(ethyl)-2-(3,5,5-trimethyl-2-oxo-4-phenyl-1,3-oxazinan-6-yl)acetamide;uranium(2+);vanadium

C21H29N2O5UV- — CID 20671798

IUPACacetic acid;N,N-di(ethyl)-2-(3,5,5-trimethyl-2-oxo-4-phenyl-1,3-oxazinan-6-yl)acetamide;uranium(2+);vanadium
SMILES[CH2-]C(=O)O.[CH2-]CN(C[CH2-])C(=O)CC1OC(=O)N(C)C(c2ccccc2)C1(C)C.[U+2].[V]
InChIInChI=1S/C19H26N2O3.C2H3O2.U.V/c1-6-21(7-2)16(22)13-15-19(3,4)17(20(5)18(23)24-15)14-11-9-8-10-12-14;1-2(3)4;;/h8-12,15,17H,1-2,6-7,13H2,3-5H3;1H2,(H,3,4);;/q-2;-1;+2;
InChIKeyQEOQJRQWVMNUOC-UHFFFAOYSA-N
MW678.44 g/mol
LogP2.99
Rot. Bonds5

About acetic acid;N,N-di(ethyl)-2-(3,5,5-trimethyl-2-oxo-4-phenyl-1,3-oxazinan-6-yl)acetamide;uranium(2+);vanadium

acetic acid;N,N-di(ethyl)-2-(3,5,5-trimethyl-2-oxo-4-phenyl-1,3-oxazinan-6-yl)acetamide;uranium(2+);vanadium (PubChem CID 20671798) has the molecular formula C21H29N2O5UV- and a molecular weight of 678.44 g/mol. Its IUPAC name is acetic acid;N,N-di(ethyl)-2-(3,5,5-trimethyl-2-oxo-4-phenyl-1,3-oxazinan-6-yl)acetamide;uranium(2+);vanadium.

Molecular Properties

Compound Nameacetic acid;N,N-di(ethyl)-2-(3,5,5-trimethyl-2-oxo-4-phenyl-1,3-oxazinan-6-yl)acetamide;uranium(2+);vanadium
PubChem CID20671798
Molecular FormulaC21H29N2O5UV-
Molecular Weight678.44 g/mol
Exact Mass678.20
IUPAC Nameacetic acid;N,N-di(ethyl)-2-(3,5,5-trimethyl-2-oxo-4-phenyl-1,3-oxazinan-6-yl)acetamide;uranium(2+);vanadium
SMILES[CH2-]C(=O)O.[CH2-]CN(C[CH2-])C(=O)CC1OC(=O)N(C)C(c2ccccc2)C1(C)C.[U+2].[V]
InChIInChI=1S/C19H26N2O3.C2H3O2.U.V/c1-6-21(7-2)16(22)13-15-19(3,4)17(20(5)18(23)24-15)14-11-9-8-10-12-14;1-2(3)4;;/h8-12,15,17H,1-2,6-7,13H2,3-5H3;1H2,(H,3,4);;/q-2;-1;+2;
InChIKeyQEOQJRQWVMNUOC-UHFFFAOYSA-N
XLogP2.99
TPSA87.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500678.44
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Launch Full Analysis

Related Compounds

methyl (5R,6S,10S,11S)-5-[benzyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-11-hydroxyspiro[5.5]undec-3-ene-10-carboxylate
CID 146167031
2-[(4S,6R)-6-(3,5-difluorophenyl)-4-hydroxy-3,3-dimethyl-2-oxopiperidin-1-yl]butanoic acid
CID 66972975
2-[(4S,6S)-6-(3,5-difluorophenyl)-4-hydroxy-3,3-dimethyl-2-oxopiperidin-1-yl]butanoic acid
CID 66973130
2-[(4R,6S)-6-(3,5-difluorophenyl)-4-hydroxy-3,3-dimethyl-2-oxopiperidin-1-yl]butanoic acid
CID 66973446
2-[(4R,6R)-6-(3,5-difluorophenyl)-4-hydroxy-3,3-dimethyl-2-oxopiperidin-1-yl]butanoic acid
CID 66973447
Ethyl [(4S,6S)-6-(3,5-difluorophenyl)-4-hydroxy-3,3-dimethyl-2-oxopiperidin-1-yl]acetate
CID 86616394
ethyl 2-[(4S,6R)-6-(3,5-difluorophenyl)-4-hydroxy-3,3-dimethyl-2-oxopiperidin-1-yl]acetate
CID 86616395
Ethyl 2-[6-(3,5-difluorophenyl)-4-hydroxy-3,3-dimethyl-2-oxopiperidin-1-yl]acetate
CID 91030553
ethyl 2-[(4R,6S)-6-(3,5-difluorophenyl)-4-hydroxy-3,3-dimethyl-2-oxopiperidin-1-yl]acetate
CID 91095545
ethyl 2-[(4R,6R)-6-(3,5-difluorophenyl)-4-hydroxy-3,3-dimethyl-2-oxopiperidin-1-yl]acetate
CID 91268395
methyl (4R,5S,6R)-3-benzyl-6-methyl-2-oxo-4-phenyl-1,3-oxazinane-5-carboxylate
CID 10712120
2-(1-octadecanoyl-2-piperidyl)ethyl 4-benzyltetrahydro-1 (2H)-pyrazinecarboxylate
CID 9830126

Frequently Asked Questions

What is the IUPAC name of acetic acid;N,N-di(ethyl)-2-(3,5,5-trimethyl-2-oxo-4-phenyl-1,3-oxazinan-6-yl)acetamide;uranium(2+);vanadium?
The IUPAC name of acetic acid;N,N-di(ethyl)-2-(3,5,5-trimethyl-2-oxo-4-phenyl-1,3-oxazinan-6-yl)acetamide;uranium(2+);vanadium (CID 20671798) is acetic acid;N,N-di(ethyl)-2-(3,5,5-trimethyl-2-oxo-4-phenyl-1,3-oxazinan-6-yl)acetamide;uranium(2+);vanadium.
What is the SMILES notation for acetic acid;N,N-di(ethyl)-2-(3,5,5-trimethyl-2-oxo-4-phenyl-1,3-oxazinan-6-yl)acetamide;uranium(2+);vanadium?
The canonical SMILES for acetic acid;N,N-di(ethyl)-2-(3,5,5-trimethyl-2-oxo-4-phenyl-1,3-oxazinan-6-yl)acetamide;uranium(2+);vanadium is [CH2-]C(=O)O.[CH2-]CN(C[CH2-])C(=O)CC1OC(=O)N(C)C(c2ccccc2)C1(C)C.[U+2].[V].
What is the InChIKey of acetic acid;N,N-di(ethyl)-2-(3,5,5-trimethyl-2-oxo-4-phenyl-1,3-oxazinan-6-yl)acetamide;uranium(2+);vanadium?
The InChIKey is QEOQJRQWVMNUOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O3.C2H3O2.U.V/c1-6-21(7-2)16(22)13-15-19(3,4)17(20(5)18(23)24-15)14-11-9-8-10-12-14;1-2(3)4;;/h8-12,15,17H,1-2,6-7,13H2,3-5H3;1H2,(H,3,4);;/q-2;-1;+2;.
What are the key properties of acetic acid;N,N-di(ethyl)-2-(3,5,5-trimethyl-2-oxo-4-phenyl-1,3-oxazinan-6-yl)acetamide;uranium(2+);vanadium?
acetic acid;N,N-di(ethyl)-2-(3,5,5-trimethyl-2-oxo-4-phenyl-1,3-oxazinan-6-yl)acetamide;uranium(2+);vanadium has a molecular weight of 678.44 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;N,N-di(ethyl)-2-(3,5,5-trimethyl-2-oxo-4-phenyl-1,3-oxazinan-6-yl)acetamide;uranium(2+);vanadium is sourced from PubChem (CID 20671798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).