tert-butyl 4-[butan-2-yl(2-methoxyethyl)amino]-4-oxobutanoate

C15H29NO4 — CID 106707257

IUPACtert-butyl 4-[butan-2-yl(2-methoxyethyl)amino]-4-oxobutanoate
SMILESCCC(C)N(CCOC)C(=O)CCC(=O)OC(C)(C)C
InChIInChI=1S/C15H29NO4/c1-7-12(2)16(10-11-19-6)13(17)8-9-14(18)20-15(3,4)5/h12H,7-11H2,1-6H3
InChIKeyZVBTVJYVAAHRBT-UHFFFAOYSA-N
MW287.40 g/mol
LogP2.38
Rot. Bonds8

About tert-butyl 4-[butan-2-yl(2-methoxyethyl)amino]-4-oxobutanoate

tert-butyl 4-[butan-2-yl(2-methoxyethyl)amino]-4-oxobutanoate (PubChem CID 106707257) has the molecular formula C15H29NO4 and a molecular weight of 287.40 g/mol. Its IUPAC name is tert-butyl 4-[butan-2-yl(2-methoxyethyl)amino]-4-oxobutanoate.

Molecular Properties

Compound Nametert-butyl 4-[butan-2-yl(2-methoxyethyl)amino]-4-oxobutanoate
PubChem CID106707257
Molecular FormulaC15H29NO4
Molecular Weight287.40 g/mol
Exact Mass287.21
IUPAC Nametert-butyl 4-[butan-2-yl(2-methoxyethyl)amino]-4-oxobutanoate
SMILESCCC(C)N(CCOC)C(=O)CCC(=O)OC(C)(C)C
InChIInChI=1S/C15H29NO4/c1-7-12(2)16(10-11-19-6)13(17)8-9-14(18)20-15(3,4)5/h12H,7-11H2,1-6H3
InChIKeyZVBTVJYVAAHRBT-UHFFFAOYSA-N
XLogP2.38
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze tert-butyl 4-[butan-2-yl(2-methoxyethyl)amino]-4-oxobutanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl 2-[butan-2-yl(2-methoxyethyl)amino]propanoate
CID 64688775
N-butan-2-yl-N-(2-methoxyethyl)-2-methyl-2-(methylamino)propanamide
CID 62845655
tert-butyl 3-[ethyl(1-methoxypropan-2-yl)amino]propanoate
CID 115590874
tert-butyl 4-[(2-hydroxy-3,3-diphenylpropyl)-(1-methoxypropan-2-yl)amino]-4-oxobutanoate
CID 159065440
tert-butyl 4-[methyl(propyl)amino]-4-oxobutanoate
CID 106707015
tert-butyl 4-(dimethylamino)-4-oxobutanoate
CID 106706987
2-[butan-2-yl(3-methoxypropanoyl)amino]acetic acid
CID 62591148
2-amino-N-butan-2-yl-N-(2-methoxyethyl)-3-methylpentanamide
CID 55000825
3-amino-N-butan-2-yl-3-hydroxyimino-N-(2-methoxyethyl)-2,2-dimethylpropanamide
CID 76921320
5-bromo-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)pentanamide
CID 107909884
tert-butyl 4-[2-hydroxyethyl(methyl)amino]-4-oxobutanoate
CID 106707073
tert-butyl 4-[(2-amino-2-oxoethyl)-butylamino]-4-oxobutanoate
CID 106707268

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[butan-2-yl(2-methoxyethyl)amino]-4-oxobutanoate?
The IUPAC name of tert-butyl 4-[butan-2-yl(2-methoxyethyl)amino]-4-oxobutanoate (CID 106707257) is tert-butyl 4-[butan-2-yl(2-methoxyethyl)amino]-4-oxobutanoate.
What is the SMILES notation for tert-butyl 4-[butan-2-yl(2-methoxyethyl)amino]-4-oxobutanoate?
The canonical SMILES for tert-butyl 4-[butan-2-yl(2-methoxyethyl)amino]-4-oxobutanoate is CCC(C)N(CCOC)C(=O)CCC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 4-[butan-2-yl(2-methoxyethyl)amino]-4-oxobutanoate?
The InChIKey is ZVBTVJYVAAHRBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO4/c1-7-12(2)16(10-11-19-6)13(17)8-9-14(18)20-15(3,4)5/h12H,7-11H2,1-6H3.
What are the key properties of tert-butyl 4-[butan-2-yl(2-methoxyethyl)amino]-4-oxobutanoate?
tert-butyl 4-[butan-2-yl(2-methoxyethyl)amino]-4-oxobutanoate has a molecular weight of 287.40 g/mol, XLogP of 2.38, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[butan-2-yl(2-methoxyethyl)amino]-4-oxobutanoate is sourced from PubChem (CID 106707257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).