methane;(2S)-N-methoxy-N-methyl-2-(methylamino)propanamide;(2R)-N-methoxy-N-methyl-2-(methylamino)propanamide

C13H32N4O4 — CID 158882203

IUPACmethane;(2S)-N-methoxy-N-methyl-2-(methylamino)propanamide;(2R)-N-methoxy-N-methyl-2-(methylamino)propanamide
SMILESC.CN[C@@H](C)C(=O)N(C)OC.CN[C@H](C)C(=O)N(C)OC
InChIInChI=1S/2C6H14N2O2.CH4/c2*1-5(7-2)6(9)8(3)10-4;/h2*5,7H,1-4H3;1H4/t2*5-;/m10./s1
InChIKeyJDDYKVPLAOVGPD-XBAYFCCHSA-N
MW308.42 g/mol
LogP-0.14
Rot. Bonds6

About methane;(2S)-N-methoxy-N-methyl-2-(methylamino)propanamide;(2R)-N-methoxy-N-methyl-2-(methylamino)propanamide

methane;(2S)-N-methoxy-N-methyl-2-(methylamino)propanamide;(2R)-N-methoxy-N-methyl-2-(methylamino)propanamide (PubChem CID 158882203) has the molecular formula C13H32N4O4 and a molecular weight of 308.42 g/mol. Its IUPAC name is methane;(2S)-N-methoxy-N-methyl-2-(methylamino)propanamide;(2R)-N-methoxy-N-methyl-2-(methylamino)propanamide.

Molecular Properties

Compound Namemethane;(2S)-N-methoxy-N-methyl-2-(methylamino)propanamide;(2R)-N-methoxy-N-methyl-2-(methylamino)propanamide
PubChem CID158882203
Molecular FormulaC13H32N4O4
Molecular Weight308.42 g/mol
Exact Mass308.24
IUPAC Namemethane;(2S)-N-methoxy-N-methyl-2-(methylamino)propanamide;(2R)-N-methoxy-N-methyl-2-(methylamino)propanamide
SMILESC.CN[C@@H](C)C(=O)N(C)OC.CN[C@H](C)C(=O)N(C)OC
InChIInChI=1S/2C6H14N2O2.CH4/c2*1-5(7-2)6(9)8(3)10-4;/h2*5,7H,1-4H3;1H4/t2*5-;/m10./s1
InChIKeyJDDYKVPLAOVGPD-XBAYFCCHSA-N
XLogP-0.14
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.42
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-methyl-N-[2-(methylamino)propanoyl]carbamate
CID 58446238
N-methoxy-N,2,4-trimethylpentanamide
CID 161245608
2-[methyl-[2-(methylamino)propanoyl]amino]acetic acid
CID 62638787
N-cyclopropyl-N-methyl-2-(methylamino)propanamide
CID 62637829
N-[(5S)-3-methoxy-5-methylheptan-4-yl]-N-methyl-2-(methylamino)propanamide
CID 59974258
3-hydroxy-N-methoxy-N,2-dimethylpentanamide
CID 85166766
(2R,3R)-2,3-dihydroxy-N-methoxy-N-methyl-4-oxopentanamide
CID 134856365
[5-[methoxy(methyl)amino]-4-methyl-5-oxopentan-2-yl]carbamic acid
CID 118978249
benzyl N-[(2S)-1-[methoxy(methyl)amino]-1-oxo(1,2,3-13C3)propan-2-yl]carbamate
CID 73292966
N-methyl-2-(methylamino)-N-(2-methylbutan-2-yl)propanamide
CID 63966379
N,N-dimethylpropane-2-sulfonamide;N-methoxy-N,2-dimethylpropanamide
CID 159595183
(2R,3R)-3-hydroxy-N-methoxy-N,2-dimethylpent-4-ynamide
CID 11116505

Frequently Asked Questions

What is the IUPAC name of methane;(2S)-N-methoxy-N-methyl-2-(methylamino)propanamide;(2R)-N-methoxy-N-methyl-2-(methylamino)propanamide?
The IUPAC name of methane;(2S)-N-methoxy-N-methyl-2-(methylamino)propanamide;(2R)-N-methoxy-N-methyl-2-(methylamino)propanamide (CID 158882203) is methane;(2S)-N-methoxy-N-methyl-2-(methylamino)propanamide;(2R)-N-methoxy-N-methyl-2-(methylamino)propanamide.
What is the SMILES notation for methane;(2S)-N-methoxy-N-methyl-2-(methylamino)propanamide;(2R)-N-methoxy-N-methyl-2-(methylamino)propanamide?
The canonical SMILES for methane;(2S)-N-methoxy-N-methyl-2-(methylamino)propanamide;(2R)-N-methoxy-N-methyl-2-(methylamino)propanamide is C.CN[C@@H](C)C(=O)N(C)OC.CN[C@H](C)C(=O)N(C)OC.
What is the InChIKey of methane;(2S)-N-methoxy-N-methyl-2-(methylamino)propanamide;(2R)-N-methoxy-N-methyl-2-(methylamino)propanamide?
The InChIKey is JDDYKVPLAOVGPD-XBAYFCCHSA-N. The full InChI is InChI=1S/2C6H14N2O2.CH4/c2*1-5(7-2)6(9)8(3)10-4;/h2*5,7H,1-4H3;1H4/t2*5-;/m10./s1.
What are the key properties of methane;(2S)-N-methoxy-N-methyl-2-(methylamino)propanamide;(2R)-N-methoxy-N-methyl-2-(methylamino)propanamide?
methane;(2S)-N-methoxy-N-methyl-2-(methylamino)propanamide;(2R)-N-methoxy-N-methyl-2-(methylamino)propanamide has a molecular weight of 308.42 g/mol, XLogP of -0.14, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methane;(2S)-N-methoxy-N-methyl-2-(methylamino)propanamide;(2R)-N-methoxy-N-methyl-2-(methylamino)propanamide is sourced from PubChem (CID 158882203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).