ethyl 3-(diethylamino)-3-(3-ethylimidazol-4-yl)propanoate

C14H25N3O2 — CID 66133938

IUPACethyl 3-(diethylamino)-3-(3-ethylimidazol-4-yl)propanoate
SMILESCCOC(=O)CC(c1cncn1CC)N(CC)CC
InChIInChI=1S/C14H25N3O2/c1-5-16(6-2)12(9-14(18)19-8-4)13-10-15-11-17(13)7-3/h10-12H,5-9H2,1-4H3
InChIKeyKRYJUZRUDJOXDJ-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.24
Rot. Bonds8

About ethyl 3-(diethylamino)-3-(3-ethylimidazol-4-yl)propanoate

ethyl 3-(diethylamino)-3-(3-ethylimidazol-4-yl)propanoate (PubChem CID 66133938) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is ethyl 3-(diethylamino)-3-(3-ethylimidazol-4-yl)propanoate.

Molecular Properties

Compound Nameethyl 3-(diethylamino)-3-(3-ethylimidazol-4-yl)propanoate
PubChem CID66133938
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC Nameethyl 3-(diethylamino)-3-(3-ethylimidazol-4-yl)propanoate
SMILESCCOC(=O)CC(c1cncn1CC)N(CC)CC
InChIInChI=1S/C14H25N3O2/c1-5-16(6-2)12(9-14(18)19-8-4)13-10-15-11-17(13)7-3/h10-12H,5-9H2,1-4H3
InChIKeyKRYJUZRUDJOXDJ-UHFFFAOYSA-N
XLogP2.24
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-3-(3-ethylimidazol-4-yl)propanoic acid
CID 66132745
ethyl 2-[(3-ethylimidazol-4-yl)-hydroxymethyl]-3-methylbutanoate
CID 66134341
ethyl 3-(3-cyclopropylimidazol-4-yl)-3-(dimethylamino)propanoate
CID 66139484
2-(3-ethylimidazol-4-yl)propanoic acid
CID 83873746
N,N-diethyl-1-(3-propylimidazol-4-yl)ethane-1,2-diamine
CID 66131396
2-(dimethylamino)-2-(3-ethylimidazol-4-yl)acetic acid
CID 66133106
ethyl 2-anilino-2-(3-ethylimidazol-4-yl)acetate
CID 66133494
ethyl 3-hydroxy-3-(3-methylimidazol-4-yl)propanoate
CID 66118831
ethyl 2-(4-chloroanilino)-2-(3-ethylimidazol-4-yl)acetate
CID 66133075
2-(cyclopropylmethylamino)-2-(3-ethylimidazol-4-yl)acetamide
CID 66134304
2-(diethylamino)-2-(3-propylimidazol-4-yl)acetic acid
CID 66130451
3-(3-cyclopropylimidazol-4-yl)-3-(diethylamino)propanoic acid
CID 66142290

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(diethylamino)-3-(3-ethylimidazol-4-yl)propanoate?
The IUPAC name of ethyl 3-(diethylamino)-3-(3-ethylimidazol-4-yl)propanoate (CID 66133938) is ethyl 3-(diethylamino)-3-(3-ethylimidazol-4-yl)propanoate.
What is the SMILES notation for ethyl 3-(diethylamino)-3-(3-ethylimidazol-4-yl)propanoate?
The canonical SMILES for ethyl 3-(diethylamino)-3-(3-ethylimidazol-4-yl)propanoate is CCOC(=O)CC(c1cncn1CC)N(CC)CC.
What is the InChIKey of ethyl 3-(diethylamino)-3-(3-ethylimidazol-4-yl)propanoate?
The InChIKey is KRYJUZRUDJOXDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-5-16(6-2)12(9-14(18)19-8-4)13-10-15-11-17(13)7-3/h10-12H,5-9H2,1-4H3.
What are the key properties of ethyl 3-(diethylamino)-3-(3-ethylimidazol-4-yl)propanoate?
ethyl 3-(diethylamino)-3-(3-ethylimidazol-4-yl)propanoate has a molecular weight of 267.37 g/mol, XLogP of 2.24, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(diethylamino)-3-(3-ethylimidazol-4-yl)propanoate is sourced from PubChem (CID 66133938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).