tert-butyl N-[4-(dimethylamino)-4-oxobutyl]-N-methylcarbamate

C12H24N2O3 — CID 19757668

IUPACtert-butyl N-[4-(dimethylamino)-4-oxobutyl]-N-methylcarbamate
SMILESCN(C)C(=O)CCCN(C)C(=O)OC(C)(C)C
InChIInChI=1S/C12H24N2O3/c1-12(2,3)17-11(16)14(6)9-7-8-10(15)13(4)5/h7-9H2,1-6H3
InChIKeyXSBUVIKGIYOKFQ-UHFFFAOYSA-N
MW244.33 g/mol
LogP1.72
Rot. Bonds4

About tert-butyl N-[4-(dimethylamino)-4-oxobutyl]-N-methylcarbamate

tert-butyl N-[4-(dimethylamino)-4-oxobutyl]-N-methylcarbamate (PubChem CID 19757668) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is tert-butyl N-[4-(dimethylamino)-4-oxobutyl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[4-(dimethylamino)-4-oxobutyl]-N-methylcarbamate
PubChem CID19757668
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Nametert-butyl N-[4-(dimethylamino)-4-oxobutyl]-N-methylcarbamate
SMILESCN(C)C(=O)CCCN(C)C(=O)OC(C)(C)C
InChIInChI=1S/C12H24N2O3/c1-12(2,3)17-11(16)14(6)9-7-8-10(15)13(4)5/h7-9H2,1-6H3
InChIKeyXSBUVIKGIYOKFQ-UHFFFAOYSA-N
XLogP1.72
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[4-[bis(cyanomethyl)amino]-4-oxobutyl]-N-methylcarbamate
CID 52832509
tert-butyl 5-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoate
CID 163409952
tert-butyl N-methyl-N-(5-methyl-4-oxohex-5-enyl)carbamate
CID 167204314
butanoyl 4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoate
CID 166720638
tert-butyl N-methyl-N-(3-trimethylsilylpropyl)carbamate
CID 159187536
tert-butyl N-(9-bromononyl)-N-methylcarbamate
CID 166638484
methyl 8-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]octanoate
CID 139703112
3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate
CID 6991933
tert-butyl N-(4-hydroxypentyl)-N-methylcarbamate
CID 23122203
tert-butyl N-methyl-N-pent-4-enylcarbamate
CID 20756745
2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethylazanium
CID 7006641
tert-butyl N-(2-aminooxyethyl)-N-methylcarbamate
CID 23398498

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-(dimethylamino)-4-oxobutyl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[4-(dimethylamino)-4-oxobutyl]-N-methylcarbamate (CID 19757668) is tert-butyl N-[4-(dimethylamino)-4-oxobutyl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[4-(dimethylamino)-4-oxobutyl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[4-(dimethylamino)-4-oxobutyl]-N-methylcarbamate is CN(C)C(=O)CCCN(C)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[4-(dimethylamino)-4-oxobutyl]-N-methylcarbamate?
The InChIKey is XSBUVIKGIYOKFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-12(2,3)17-11(16)14(6)9-7-8-10(15)13(4)5/h7-9H2,1-6H3.
What are the key properties of tert-butyl N-[4-(dimethylamino)-4-oxobutyl]-N-methylcarbamate?
tert-butyl N-[4-(dimethylamino)-4-oxobutyl]-N-methylcarbamate has a molecular weight of 244.33 g/mol, XLogP of 1.72, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-(dimethylamino)-4-oxobutyl]-N-methylcarbamate is sourced from PubChem (CID 19757668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).