ethane;N-methoxy-N,2,2-trimethyl-3-phosphanyl-1,3-oxazolidine-4-carboxamide

C10H23N2O3P — CID 142567323

IUPACethane;N-methoxy-N,2,2-trimethyl-3-phosphanyl-1,3-oxazolidine-4-carboxamide
SMILESCC.CON(C)C(=O)C1COC(C)(C)N1P
InChIInChI=1S/C8H17N2O3P.C2H6/c1-8(2)10(14)6(5-13-8)7(11)9(3)12-4;1-2/h6H,5,14H2,1-4H3;1-2H3
InChIKeyZHPPDUNCUZGETQ-UHFFFAOYSA-N
MW250.28 g/mol
LogP1.26
Rot. Bonds2

About ethane;N-methoxy-N,2,2-trimethyl-3-phosphanyl-1,3-oxazolidine-4-carboxamide

ethane;N-methoxy-N,2,2-trimethyl-3-phosphanyl-1,3-oxazolidine-4-carboxamide (PubChem CID 142567323) has the molecular formula C10H23N2O3P and a molecular weight of 250.28 g/mol. Its IUPAC name is ethane;N-methoxy-N,2,2-trimethyl-3-phosphanyl-1,3-oxazolidine-4-carboxamide.

Molecular Properties

Compound Nameethane;N-methoxy-N,2,2-trimethyl-3-phosphanyl-1,3-oxazolidine-4-carboxamide
PubChem CID142567323
Molecular FormulaC10H23N2O3P
Molecular Weight250.28 g/mol
Exact Mass250.14
IUPAC Nameethane;N-methoxy-N,2,2-trimethyl-3-phosphanyl-1,3-oxazolidine-4-carboxamide
SMILESCC.CON(C)C(=O)C1COC(C)(C)N1P
InChIInChI=1S/C8H17N2O3P.C2H6/c1-8(2)10(14)6(5-13-8)7(11)9(3)12-4;1-2/h6H,5,14H2,1-4H3;1-2H3
InChIKeyZHPPDUNCUZGETQ-UHFFFAOYSA-N
XLogP1.26
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.28
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

(2S)-N-methoxy-N-methyl-4-phosphanylmorpholine-2-carboxamide
CID 58854871
tert-butyl 3-[methoxy(methyl)carbamoyl]morpholine-4-carboxylate
CID 22309118
2-(2,2-dimethyl-1,3-dioxan-5-yl)-N-methoxy-N-methylpropanamide
CID 166447412
methyl 4-acetyl-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 143439103
tert-butyl (4S)-2,2-dimethyl-4-oxaldehydoyl-1,3-oxazolidine-3-carboxylate
CID 10682569
tert-butyl (4S)-2,2-dimethyl-4-prop-2-enoyl-1,3-oxazolidine-3-carboxylate
CID 70678214
tert-butyl 4-[5-[methoxy(methyl)amino]-5-oxopentyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate;1,1,1-trifluoroethane
CID 176970719
6,6-difluoro-N-methoxy-N-methylbicyclo[3.1.0]hexane-3-carboxamide
CID 137407926
(3R)-N-methoxy-N-methyloxolane-3-carboxamide
CID 93496982
(3S)-N-methoxy-N-methyloxolane-3-carboxamide
CID 93496983
N-methoxy-N-methylspiro[2.3]hexane-2-carboxamide
CID 130725563
(2S,4R)-N-methoxy-N,4-dimethyloxolane-2-carboxamide
CID 129450869

Frequently Asked Questions

What is the IUPAC name of ethane;N-methoxy-N,2,2-trimethyl-3-phosphanyl-1,3-oxazolidine-4-carboxamide?
The IUPAC name of ethane;N-methoxy-N,2,2-trimethyl-3-phosphanyl-1,3-oxazolidine-4-carboxamide (CID 142567323) is ethane;N-methoxy-N,2,2-trimethyl-3-phosphanyl-1,3-oxazolidine-4-carboxamide.
What is the SMILES notation for ethane;N-methoxy-N,2,2-trimethyl-3-phosphanyl-1,3-oxazolidine-4-carboxamide?
The canonical SMILES for ethane;N-methoxy-N,2,2-trimethyl-3-phosphanyl-1,3-oxazolidine-4-carboxamide is CC.CON(C)C(=O)C1COC(C)(C)N1P.
What is the InChIKey of ethane;N-methoxy-N,2,2-trimethyl-3-phosphanyl-1,3-oxazolidine-4-carboxamide?
The InChIKey is ZHPPDUNCUZGETQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N2O3P.C2H6/c1-8(2)10(14)6(5-13-8)7(11)9(3)12-4;1-2/h6H,5,14H2,1-4H3;1-2H3.
What are the key properties of ethane;N-methoxy-N,2,2-trimethyl-3-phosphanyl-1,3-oxazolidine-4-carboxamide?
ethane;N-methoxy-N,2,2-trimethyl-3-phosphanyl-1,3-oxazolidine-4-carboxamide has a molecular weight of 250.28 g/mol, XLogP of 1.26, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-methoxy-N,2,2-trimethyl-3-phosphanyl-1,3-oxazolidine-4-carboxamide is sourced from PubChem (CID 142567323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).