methyl N-[2,2-dimethylbutanoyl(propan-2-yl)amino]carbamate

C11H22N2O3 — CID 130401899

IUPACmethyl N-[2,2-dimethylbutanoyl(propan-2-yl)amino]carbamate
SMILESCCC(C)(C)C(=O)N(NC(=O)OC)C(C)C
InChIInChI=1S/C11H22N2O3/c1-7-11(4,5)9(14)13(8(2)3)12-10(15)16-6/h8H,7H2,1-6H3,(H,12,15)
InChIKeyYFKSRAAXANUTIB-UHFFFAOYSA-N
MW230.31 g/mol
LogP1.93
Rot. Bonds3

About methyl N-[2,2-dimethylbutanoyl(propan-2-yl)amino]carbamate

methyl N-[2,2-dimethylbutanoyl(propan-2-yl)amino]carbamate (PubChem CID 130401899) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is methyl N-[2,2-dimethylbutanoyl(propan-2-yl)amino]carbamate.

Molecular Properties

Compound Namemethyl N-[2,2-dimethylbutanoyl(propan-2-yl)amino]carbamate
PubChem CID130401899
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Namemethyl N-[2,2-dimethylbutanoyl(propan-2-yl)amino]carbamate
SMILESCCC(C)(C)C(=O)N(NC(=O)OC)C(C)C
InChIInChI=1S/C11H22N2O3/c1-7-11(4,5)9(14)13(8(2)3)12-10(15)16-6/h8H,7H2,1-6H3,(H,12,15)
InChIKeyYFKSRAAXANUTIB-UHFFFAOYSA-N
XLogP1.93
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl N-[2,2-dimethylpropanoyl(propan-2-yl)amino]carbamate
CID 130396778
methyl 2-[2,2-dimethylbutanoyl(propyl)amino]acetate
CID 62679600
N-(1-hydroxypropan-2-yl)-N,2,2-trimethylbutanamide
CID 104553489
N-(methoxymethyl)-N,2,2-trimethylbutanamide
CID 58226288
methane;methyl 2,2-dimethylbutanoate
CID 161256043
tert-butyl N-(4-hydroxybutan-2-yl)-N-[(2-methylpropan-2-yl)oxycarbonylamino]carbamate
CID 11392545
tert-butyl N-[(2-methylpropan-2-yl)oxycarbonylamino]-N-(3-oxopentan-2-yl)carbamate
CID 11823244
N-(3-chloropropyl)-2,2-dimethyl-N-propan-2-ylbutanamide
CID 63390552
2-(methoxycarbonylamino)-2-methylbutanoic acid
CID 79792133
4-[2,2-dimethylbutanoyl(propan-2-yl)amino]butanoic acid
CID 62679528
N-(3-hydroxybutyl)-N,2,2-trimethylbutanamide
CID 111695856
methane;methyl 2,2-dimethylbutanoate;molecular iodine
CID 158792911

Frequently Asked Questions

What is the IUPAC name of methyl N-[2,2-dimethylbutanoyl(propan-2-yl)amino]carbamate?
The IUPAC name of methyl N-[2,2-dimethylbutanoyl(propan-2-yl)amino]carbamate (CID 130401899) is methyl N-[2,2-dimethylbutanoyl(propan-2-yl)amino]carbamate.
What is the SMILES notation for methyl N-[2,2-dimethylbutanoyl(propan-2-yl)amino]carbamate?
The canonical SMILES for methyl N-[2,2-dimethylbutanoyl(propan-2-yl)amino]carbamate is CCC(C)(C)C(=O)N(NC(=O)OC)C(C)C.
What is the InChIKey of methyl N-[2,2-dimethylbutanoyl(propan-2-yl)amino]carbamate?
The InChIKey is YFKSRAAXANUTIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-7-11(4,5)9(14)13(8(2)3)12-10(15)16-6/h8H,7H2,1-6H3,(H,12,15).
What are the key properties of methyl N-[2,2-dimethylbutanoyl(propan-2-yl)amino]carbamate?
methyl N-[2,2-dimethylbutanoyl(propan-2-yl)amino]carbamate has a molecular weight of 230.31 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[2,2-dimethylbutanoyl(propan-2-yl)amino]carbamate is sourced from PubChem (CID 130401899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).