ethyl 4-amino-7-(diethylamino)-2,2-dimethyl-7-oxoheptanoate

C15H30N2O3 — CID 164685011

IUPACethyl 4-amino-7-(diethylamino)-2,2-dimethyl-7-oxoheptanoate
SMILESCCOC(=O)C(C)(C)CC(N)CCC(=O)N(CC)CC
InChIInChI=1S/C15H30N2O3/c1-6-17(7-2)13(18)10-9-12(16)11-15(4,5)14(19)20-8-3/h12H,6-11,16H2,1-5H3
InChIKeyQYKFLRNYVKKNDH-UHFFFAOYSA-N
MW286.42 g/mol
LogP1.94
Rot. Bonds9

About ethyl 4-amino-7-(diethylamino)-2,2-dimethyl-7-oxoheptanoate

ethyl 4-amino-7-(diethylamino)-2,2-dimethyl-7-oxoheptanoate (PubChem CID 164685011) has the molecular formula C15H30N2O3 and a molecular weight of 286.42 g/mol. Its IUPAC name is ethyl 4-amino-7-(diethylamino)-2,2-dimethyl-7-oxoheptanoate.

Molecular Properties

Compound Nameethyl 4-amino-7-(diethylamino)-2,2-dimethyl-7-oxoheptanoate
PubChem CID164685011
Molecular FormulaC15H30N2O3
Molecular Weight286.42 g/mol
Exact Mass286.23
IUPAC Nameethyl 4-amino-7-(diethylamino)-2,2-dimethyl-7-oxoheptanoate
SMILESCCOC(=O)C(C)(C)CC(N)CCC(=O)N(CC)CC
InChIInChI=1S/C15H30N2O3/c1-6-17(7-2)13(18)10-9-12(16)11-15(4,5)14(19)20-8-3/h12H,6-11,16H2,1-5H3
InChIKeyQYKFLRNYVKKNDH-UHFFFAOYSA-N
XLogP1.94
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 4-amino-7-(diethylamino)-2,2-dimethyl-7-oxoheptanoate 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

ethyl 5-amino-2,2,4-trimethylpentanoate
CID 123521553
diethyl 3-(1-ethoxy-2-methyl-1-oxopropan-2-yl)-2,2,5,5-tetramethylhexanedioate
CID 141254947
5-amino-N,N-diethylhexanamide
CID 82848451
ethyl (4S)-4-amino-2,2-difluorodecanoate
CID 71741834
ethyl 3-(dimethylamino)-2,2-dimethylpropanoate
CID 129270991
ethyl 4-amino-2,2-difluorodecanoate;hydrochloride
CID 78166301
ethyl 2-[ethyl(4-methylpentanoyl)amino]acetate
CID 61012376
ethyl 2,2,5-trimethyl-4-oxohexanoate
CID 59702392
N,N-diethyl-4-(trifluoromethyl)hexanamide
CID 87943140
diethyl 2,2-ditert-butylpropanedioate
CID 141391919
ethyl 3-(3-ethoxy-2,2-dimethyl-3-oxopropoxy)carbonyloxy-2,2-dimethylpropanoate
CID 87257255
ethyl 2,2,5,5-tetramethyl-4-oxohexanoate
CID 88882076

Frequently Asked Questions

What is the IUPAC name of ethyl 4-amino-7-(diethylamino)-2,2-dimethyl-7-oxoheptanoate?
The IUPAC name of ethyl 4-amino-7-(diethylamino)-2,2-dimethyl-7-oxoheptanoate (CID 164685011) is ethyl 4-amino-7-(diethylamino)-2,2-dimethyl-7-oxoheptanoate.
What is the SMILES notation for ethyl 4-amino-7-(diethylamino)-2,2-dimethyl-7-oxoheptanoate?
The canonical SMILES for ethyl 4-amino-7-(diethylamino)-2,2-dimethyl-7-oxoheptanoate is CCOC(=O)C(C)(C)CC(N)CCC(=O)N(CC)CC.
What is the InChIKey of ethyl 4-amino-7-(diethylamino)-2,2-dimethyl-7-oxoheptanoate?
The InChIKey is QYKFLRNYVKKNDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O3/c1-6-17(7-2)13(18)10-9-12(16)11-15(4,5)14(19)20-8-3/h12H,6-11,16H2,1-5H3.
What are the key properties of ethyl 4-amino-7-(diethylamino)-2,2-dimethyl-7-oxoheptanoate?
ethyl 4-amino-7-(diethylamino)-2,2-dimethyl-7-oxoheptanoate has a molecular weight of 286.42 g/mol, XLogP of 1.94, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-amino-7-(diethylamino)-2,2-dimethyl-7-oxoheptanoate is sourced from PubChem (CID 164685011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).