[4-(diethylamino)-3-methyl-4-oxobutyl] N,N-diethylcarbamate

C14H28N2O3 — CID 122517637

IUPAC[4-(diethylamino)-3-methyl-4-oxobutyl] N,N-diethylcarbamate
SMILESCCN(CC)C(=O)OCCC(C)C(=O)N(CC)CC
InChIInChI=1S/C14H28N2O3/c1-6-15(7-2)13(17)12(5)10-11-19-14(18)16(8-3)9-4/h12H,6-11H2,1-5H3
InChIKeyXHTJSPBSDXDQCG-UHFFFAOYSA-N
MW272.39 g/mol
LogP2.36
Rot. Bonds8

About [4-(diethylamino)-3-methyl-4-oxobutyl] N,N-diethylcarbamate

[4-(diethylamino)-3-methyl-4-oxobutyl] N,N-diethylcarbamate (PubChem CID 122517637) has the molecular formula C14H28N2O3 and a molecular weight of 272.39 g/mol. Its IUPAC name is [4-(diethylamino)-3-methyl-4-oxobutyl] N,N-diethylcarbamate.

Molecular Properties

Compound Name[4-(diethylamino)-3-methyl-4-oxobutyl] N,N-diethylcarbamate
PubChem CID122517637
Molecular FormulaC14H28N2O3
Molecular Weight272.39 g/mol
Exact Mass272.21
IUPAC Name[4-(diethylamino)-3-methyl-4-oxobutyl] N,N-diethylcarbamate
SMILESCCN(CC)C(=O)OCCC(C)C(=O)N(CC)CC
InChIInChI=1S/C14H28N2O3/c1-6-15(7-2)13(17)12(5)10-11-19-14(18)16(8-3)9-4/h12H,6-11H2,1-5H3
InChIKeyXHTJSPBSDXDQCG-UHFFFAOYSA-N
XLogP2.36
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(dimethylamino)propyl]-4-methoxy-N-propylbutanamide
CID 99791019
Ethyl 4-(diethylamino)-2-methyl-4-oxobutanoate
CID 13574836
4-methoxy-N,N,2-trimethylbutanamide
CID 14463400
Methyl 4-(diethylamino)-2-methyl-4-oxobutanoate
CID 66561990
Ethyl 4-(diethylamino)-3-methyl-4-oxobutanoate
CID 66562087
Ethyl 4-[ethyl(methyl)amino]-3-methyl-4-oxobutanoate
CID 77143249
4-methoxy-N,N,3-trimethylbutanamide
CID 80195826
ethyl (3R)-4-[ethyl(methyl)amino]-3-methyl-4-oxobutanoate
CID 88931107
3-methylbutyl N-butyl-N-ethylcarbamate
CID 89281450
3-methylbutyl N-butyl-N-propylcarbamate
CID 89281602
N,N-diethyl-4-methoxybutanamide
CID 112729057
[4-(diethylamino)-4-oxobutyl] N,N-diethylcarbamate
CID 122517580

Frequently Asked Questions

What is the IUPAC name of [4-(diethylamino)-3-methyl-4-oxobutyl] N,N-diethylcarbamate?
The IUPAC name of [4-(diethylamino)-3-methyl-4-oxobutyl] N,N-diethylcarbamate (CID 122517637) is [4-(diethylamino)-3-methyl-4-oxobutyl] N,N-diethylcarbamate.
What is the SMILES notation for [4-(diethylamino)-3-methyl-4-oxobutyl] N,N-diethylcarbamate?
The canonical SMILES for [4-(diethylamino)-3-methyl-4-oxobutyl] N,N-diethylcarbamate is CCN(CC)C(=O)OCCC(C)C(=O)N(CC)CC.
What is the InChIKey of [4-(diethylamino)-3-methyl-4-oxobutyl] N,N-diethylcarbamate?
The InChIKey is XHTJSPBSDXDQCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O3/c1-6-15(7-2)13(17)12(5)10-11-19-14(18)16(8-3)9-4/h12H,6-11H2,1-5H3.
What are the key properties of [4-(diethylamino)-3-methyl-4-oxobutyl] N,N-diethylcarbamate?
[4-(diethylamino)-3-methyl-4-oxobutyl] N,N-diethylcarbamate has a molecular weight of 272.39 g/mol, XLogP of 2.36, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(diethylamino)-3-methyl-4-oxobutyl] N,N-diethylcarbamate is sourced from PubChem (CID 122517637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).