tert-butyl 2-[2-(dimethylamino)ethyl-(5-ethylfuran-2-carbonyl)amino]acetate

C17H28N2O4 — CID 52842611

IUPACtert-butyl 2-[2-(dimethylamino)ethyl-(5-ethylfuran-2-carbonyl)amino]acetate
SMILESCCc1ccc(C(=O)N(CCN(C)C)CC(=O)OC(C)(C)C)o1
InChIInChI=1S/C17H28N2O4/c1-7-13-8-9-14(22-13)16(21)19(11-10-18(5)6)12-15(20)23-17(2,3)4/h8-9H,7,10-12H2,1-6H3
InChIKeyCUJJRSZAFUTIIN-UHFFFAOYSA-N
MW324.42 g/mol
LogP2.19
Rot. Bonds7

About tert-butyl 2-[2-(dimethylamino)ethyl-(5-ethylfuran-2-carbonyl)amino]acetate

tert-butyl 2-[2-(dimethylamino)ethyl-(5-ethylfuran-2-carbonyl)amino]acetate (PubChem CID 52842611) has the molecular formula C17H28N2O4 and a molecular weight of 324.42 g/mol. Its IUPAC name is tert-butyl 2-[2-(dimethylamino)ethyl-(5-ethylfuran-2-carbonyl)amino]acetate.

Molecular Properties

Compound Nametert-butyl 2-[2-(dimethylamino)ethyl-(5-ethylfuran-2-carbonyl)amino]acetate
PubChem CID52842611
Molecular FormulaC17H28N2O4
Molecular Weight324.42 g/mol
Exact Mass324.20
IUPAC Nametert-butyl 2-[2-(dimethylamino)ethyl-(5-ethylfuran-2-carbonyl)amino]acetate
SMILESCCc1ccc(C(=O)N(CCN(C)C)CC(=O)OC(C)(C)C)o1
InChIInChI=1S/C17H28N2O4/c1-7-13-8-9-14(22-13)16(21)19(11-10-18(5)6)12-15(20)23-17(2,3)4/h8-9H,7,10-12H2,1-6H3
InChIKeyCUJJRSZAFUTIIN-UHFFFAOYSA-N
XLogP2.19
TPSA62.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 2-[2-(dimethylamino)ethyl-(1,2-oxazole-3-carbonyl)amino]acetate
CID 60618983
2-[(5-ethylfuran-2-carbonyl)-propylamino]acetic acid
CID 54898860
N-[2-(dimethylamino)ethyl]-5-ethyl-N-(pyridin-2-ylmethyl)furan-2-carboxamide
CID 56783054
N,5-diethyl-N-(3-hydroxypropyl)furan-2-carboxamide
CID 115771226
N-[2-(2-chloroethoxy)ethyl]-N,5-diethylfuran-2-carboxamide
CID 114263891
tert-butyl 2-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)-[2-(dimethylamino)ethyl]amino]acetate
CID 60618706
tert-butyl 2-[2-(dimethylamino)ethyl-[4-[3-(trifluoromethyl)diazirin-3-yl]benzoyl]amino]acetate
CID 167856207
N-butyl-5-ethyl-N-(2,2,2-trifluoroethyl)furan-2-carboxamide
CID 78883229
tert-butyl 2-[2-(dimethylamino)ethyl-(2-methylquinoline-4-carbonyl)amino]acetate
CID 60618046
tert-butyl N-[[5-[ethyl(methyl)carbamoyl]furan-2-yl]methyl]carbamate
CID 71995203
5-ethyl-N-methyl-N-methylsulfonylfuran-2-carboxamide
CID 71974840
N-(2-amino-2-sulfanylideneethyl)-5-ethyl-N-methylfuran-2-carboxamide
CID 79096678

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[2-(dimethylamino)ethyl-(5-ethylfuran-2-carbonyl)amino]acetate?
The IUPAC name of tert-butyl 2-[2-(dimethylamino)ethyl-(5-ethylfuran-2-carbonyl)amino]acetate (CID 52842611) is tert-butyl 2-[2-(dimethylamino)ethyl-(5-ethylfuran-2-carbonyl)amino]acetate.
What is the SMILES notation for tert-butyl 2-[2-(dimethylamino)ethyl-(5-ethylfuran-2-carbonyl)amino]acetate?
The canonical SMILES for tert-butyl 2-[2-(dimethylamino)ethyl-(5-ethylfuran-2-carbonyl)amino]acetate is CCc1ccc(C(=O)N(CCN(C)C)CC(=O)OC(C)(C)C)o1.
What is the InChIKey of tert-butyl 2-[2-(dimethylamino)ethyl-(5-ethylfuran-2-carbonyl)amino]acetate?
The InChIKey is CUJJRSZAFUTIIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O4/c1-7-13-8-9-14(22-13)16(21)19(11-10-18(5)6)12-15(20)23-17(2,3)4/h8-9H,7,10-12H2,1-6H3.
What are the key properties of tert-butyl 2-[2-(dimethylamino)ethyl-(5-ethylfuran-2-carbonyl)amino]acetate?
tert-butyl 2-[2-(dimethylamino)ethyl-(5-ethylfuran-2-carbonyl)amino]acetate has a molecular weight of 324.42 g/mol, XLogP of 2.19, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[2-(dimethylamino)ethyl-(5-ethylfuran-2-carbonyl)amino]acetate is sourced from PubChem (CID 52842611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).