[1-[methoxy(methyl)amino]-4,4-dimethyl-1-oxopentan-2-yl] carbamate

C10H20N2O4 — CID 160785911

IUPAC[1-[methoxy(methyl)amino]-4,4-dimethyl-1-oxopentan-2-yl] carbamate
SMILESCON(C)C(=O)C(CC(C)(C)C)OC(N)=O
InChIInChI=1S/C10H20N2O4/c1-10(2,3)6-7(16-9(11)14)8(13)12(4)15-5/h7H,6H2,1-5H3,(H2,11,14)
InChIKeySBEXRCMNAWSFNC-UHFFFAOYSA-N
MW232.28 g/mol
LogP0.91
Rot. Bonds4

About [1-[methoxy(methyl)amino]-4,4-dimethyl-1-oxopentan-2-yl] carbamate

[1-[methoxy(methyl)amino]-4,4-dimethyl-1-oxopentan-2-yl] carbamate (PubChem CID 160785911) has the molecular formula C10H20N2O4 and a molecular weight of 232.28 g/mol. Its IUPAC name is [1-[methoxy(methyl)amino]-4,4-dimethyl-1-oxopentan-2-yl] carbamate.

Molecular Properties

Compound Name[1-[methoxy(methyl)amino]-4,4-dimethyl-1-oxopentan-2-yl] carbamate
PubChem CID160785911
Molecular FormulaC10H20N2O4
Molecular Weight232.28 g/mol
Exact Mass232.14
IUPAC Name[1-[methoxy(methyl)amino]-4,4-dimethyl-1-oxopentan-2-yl] carbamate
SMILESCON(C)C(=O)C(CC(C)(C)C)OC(N)=O
InChIInChI=1S/C10H20N2O4/c1-10(2,3)6-7(16-9(11)14)8(13)12(4)15-5/h7H,6H2,1-5H3,(H2,11,14)
InChIKeySBEXRCMNAWSFNC-UHFFFAOYSA-N
XLogP0.91
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[1-[methoxy(methyl)amino]-1-oxo-3-phenylpropan-2-yl] carbamate
CID 175073150
[1-[[5-(dimethylamino)-1-hydroxy-5-oxopentan-2-yl]amino]-4,4-dimethyl-1-oxopentan-2-yl] carbamate
CID 175379884
[(2S)-1-hydroxy-4,4-dimethylpentan-2-yl] carbamate
CID 87120669
[(2S)-1-(dimethylamino)-3-hydroxy-1-oxopropan-2-yl] carbamate
CID 170171988
[1-[methoxy(methyl)amino]-1-oxobutan-2-yl]azanide;rubidium(1+)
CID 59898303
N-tert-butyl-N-[(2R)-3-hydroxy-1-[methoxy(methyl)amino]-1-oxopropan-2-yl]carbamate
CID 132586846
(Z)-N-methoxy-N,2,2,4,7,9,9-heptamethyldec-5-enamide
CID 126704323
tert-butyl 4-[methoxy(methyl)amino]-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-oxobutanoate
CID 88965705
tert-butyl 2-amino-4-[methoxy(methyl)amino]-4-oxobutanoate
CID 90348684
(2R)-2-amino-N-methoxy-N-methyl-4-methylsulfanylbutanamide
CID 104908209
N-methoxy-N,2,4-trimethylpentanamide
CID 161245608
(2R)-2-amino-4,4-dimethylpentanamide
CID 59001111

Frequently Asked Questions

What is the IUPAC name of [1-[methoxy(methyl)amino]-4,4-dimethyl-1-oxopentan-2-yl] carbamate?
The IUPAC name of [1-[methoxy(methyl)amino]-4,4-dimethyl-1-oxopentan-2-yl] carbamate (CID 160785911) is [1-[methoxy(methyl)amino]-4,4-dimethyl-1-oxopentan-2-yl] carbamate.
What is the SMILES notation for [1-[methoxy(methyl)amino]-4,4-dimethyl-1-oxopentan-2-yl] carbamate?
The canonical SMILES for [1-[methoxy(methyl)amino]-4,4-dimethyl-1-oxopentan-2-yl] carbamate is CON(C)C(=O)C(CC(C)(C)C)OC(N)=O.
What is the InChIKey of [1-[methoxy(methyl)amino]-4,4-dimethyl-1-oxopentan-2-yl] carbamate?
The InChIKey is SBEXRCMNAWSFNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O4/c1-10(2,3)6-7(16-9(11)14)8(13)12(4)15-5/h7H,6H2,1-5H3,(H2,11,14).
What are the key properties of [1-[methoxy(methyl)amino]-4,4-dimethyl-1-oxopentan-2-yl] carbamate?
[1-[methoxy(methyl)amino]-4,4-dimethyl-1-oxopentan-2-yl] carbamate has a molecular weight of 232.28 g/mol, XLogP of 0.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[methoxy(methyl)amino]-4,4-dimethyl-1-oxopentan-2-yl] carbamate is sourced from PubChem (CID 160785911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).