ethyl 2-[2-(diethylamino)ethylamino]-4-methoxy-2,4-dimethylpentanoate

C16H34N2O3 — CID 60993509

IUPACethyl 2-[2-(diethylamino)ethylamino]-4-methoxy-2,4-dimethylpentanoate
SMILESCCOC(=O)C(C)(CC(C)(C)OC)NCCN(CC)CC
InChIInChI=1S/C16H34N2O3/c1-8-18(9-2)12-11-17-16(6,14(19)21-10-3)13-15(4,5)20-7/h17H,8-13H2,1-7H3
InChIKeyCXKCKQOQMWJBHX-UHFFFAOYSA-N
MW302.46 g/mol
LogP2.05
Rot. Bonds11

About ethyl 2-[2-(diethylamino)ethylamino]-4-methoxy-2,4-dimethylpentanoate

ethyl 2-[2-(diethylamino)ethylamino]-4-methoxy-2,4-dimethylpentanoate (PubChem CID 60993509) has the molecular formula C16H34N2O3 and a molecular weight of 302.46 g/mol. Its IUPAC name is ethyl 2-[2-(diethylamino)ethylamino]-4-methoxy-2,4-dimethylpentanoate.

Molecular Properties

Compound Nameethyl 2-[2-(diethylamino)ethylamino]-4-methoxy-2,4-dimethylpentanoate
PubChem CID60993509
Molecular FormulaC16H34N2O3
Molecular Weight302.46 g/mol
Exact Mass302.26
IUPAC Nameethyl 2-[2-(diethylamino)ethylamino]-4-methoxy-2,4-dimethylpentanoate
SMILESCCOC(=O)C(C)(CC(C)(C)OC)NCCN(CC)CC
InChIInChI=1S/C16H34N2O3/c1-8-18(9-2)12-11-17-16(6,14(19)21-10-3)13-15(4,5)20-7/h17H,8-13H2,1-7H3
InChIKeyCXKCKQOQMWJBHX-UHFFFAOYSA-N
XLogP2.05
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.46
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[2-(diethylamino)ethylamino]-2-methylbutanoate
CID 60994649
methyl 4-methoxy-2,4-dimethyl-2-(propylamino)pentanoate
CID 60796248
methyl 2-[2-(diethylamino)ethylamino]-2-methylpropanoate
CID 60994914
2-[2-(diethylamino)ethylamino]-4,4-dimethoxy-2-methylbutanamide
CID 66180822
ethyl 2-methyl-2-(propylamino)pentanoate
CID 60796647
ethyl 3-[3-(dimethylamino)propyl-ethylamino]-2-(ethylamino)-2-methylpropanoate
CID 102996567
ethyl 2-[2-(diethylamino)ethylamino]-3,3-dimethylbutanoate
CID 61325588
ethyl 2-[2-(diethylamino)ethylamino]-2-pyridin-3-ylpropanoate
CID 60992807
ethyl 2-(3-fluoroanilino)-4-methoxy-2,4-dimethylpentanoate
CID 60994033
methyl 2-[2-(diethylamino)ethylamino]-2-pyridin-4-ylpropanoate
CID 60993800
2-[2-(diethylamino)ethylamino]-2-(4-methoxyphenyl)propanoic acid
CID 60994370
2-[2-(diethylamino)ethylamino]-2-(4-methylphenyl)propanoic acid
CID 60994645

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(diethylamino)ethylamino]-4-methoxy-2,4-dimethylpentanoate?
The IUPAC name of ethyl 2-[2-(diethylamino)ethylamino]-4-methoxy-2,4-dimethylpentanoate (CID 60993509) is ethyl 2-[2-(diethylamino)ethylamino]-4-methoxy-2,4-dimethylpentanoate.
What is the SMILES notation for ethyl 2-[2-(diethylamino)ethylamino]-4-methoxy-2,4-dimethylpentanoate?
The canonical SMILES for ethyl 2-[2-(diethylamino)ethylamino]-4-methoxy-2,4-dimethylpentanoate is CCOC(=O)C(C)(CC(C)(C)OC)NCCN(CC)CC.
What is the InChIKey of ethyl 2-[2-(diethylamino)ethylamino]-4-methoxy-2,4-dimethylpentanoate?
The InChIKey is CXKCKQOQMWJBHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2O3/c1-8-18(9-2)12-11-17-16(6,14(19)21-10-3)13-15(4,5)20-7/h17H,8-13H2,1-7H3.
What are the key properties of ethyl 2-[2-(diethylamino)ethylamino]-4-methoxy-2,4-dimethylpentanoate?
ethyl 2-[2-(diethylamino)ethylamino]-4-methoxy-2,4-dimethylpentanoate has a molecular weight of 302.46 g/mol, XLogP of 2.05, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(diethylamino)ethylamino]-4-methoxy-2,4-dimethylpentanoate is sourced from PubChem (CID 60993509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).