methyl 4-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]amino]butanoate

C11H22N2O3 — CID 103108728

IUPACmethyl 4-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]amino]butanoate
SMILESCCN(C)C(=O)C(C)NCCCC(=O)OC
InChIInChI=1S/C11H22N2O3/c1-5-13(3)11(15)9(2)12-8-6-7-10(14)16-4/h9,12H,5-8H2,1-4H3
InChIKeyICYLZXZZPIEYTD-UHFFFAOYSA-N
MW230.31 g/mol
LogP0.40
Rot. Bonds7

About methyl 4-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]amino]butanoate

methyl 4-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]amino]butanoate (PubChem CID 103108728) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is methyl 4-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]amino]butanoate.

Molecular Properties

Compound Namemethyl 4-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]amino]butanoate
PubChem CID103108728
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Namemethyl 4-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]amino]butanoate
SMILESCCN(C)C(=O)C(C)NCCCC(=O)OC
InChIInChI=1S/C11H22N2O3/c1-5-13(3)11(15)9(2)12-8-6-7-10(14)16-4/h9,12H,5-8H2,1-4H3
InChIKeyICYLZXZZPIEYTD-UHFFFAOYSA-N
XLogP0.40
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(butylamino)-N-ethyl-N-methylpropanamide
CID 103107906
N-ethyl-2-(hexylamino)-N-methylpropanamide
CID 103107347
tert-butyl 3-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]amino]propanoate
CID 103268735
ethyl 4-[[1-(diethylamino)-1-oxopropan-2-yl]amino]butanoate
CID 60720402
2-(cyanomethylamino)-N-ethyl-N-methylpropanamide
CID 103108493
methyl 4-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]butanoate
CID 54963729
N-ethyl-2-[(3-hydroxy-3-methylbutyl)amino]-N-methylpropanamide
CID 103108355
N-ethyl-2-(2-ethylsulfanylethylamino)-N-methylpropanamide
CID 103108877
methyl 3-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]amino]butanoate
CID 103108828
methyl 3-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]sulfamoyl-methylamino]propanoate
CID 103106859
2-(cyclopropylmethylamino)-N-ethyl-N-methylpropanamide
CID 103106979
ethyl 4-[(1-methoxy-1-oxopropan-2-yl)amino]butanoate
CID 64580670

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]amino]butanoate?
The IUPAC name of methyl 4-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]amino]butanoate (CID 103108728) is methyl 4-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]amino]butanoate.
What is the SMILES notation for methyl 4-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]amino]butanoate?
The canonical SMILES for methyl 4-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]amino]butanoate is CCN(C)C(=O)C(C)NCCCC(=O)OC.
What is the InChIKey of methyl 4-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]amino]butanoate?
The InChIKey is ICYLZXZZPIEYTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-5-13(3)11(15)9(2)12-8-6-7-10(14)16-4/h9,12H,5-8H2,1-4H3.
What are the key properties of methyl 4-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]amino]butanoate?
methyl 4-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]amino]butanoate has a molecular weight of 230.31 g/mol, XLogP of 0.40, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]amino]butanoate is sourced from PubChem (CID 103108728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).