tert-butyl 2-[[5-(diethylcarbamoyl)-1H-imidazole-4-carbonyl]amino]acetate

C15H24N4O4 — CID 24793388

IUPACtert-butyl 2-[[5-(diethylcarbamoyl)-1H-imidazole-4-carbonyl]amino]acetate
SMILESCCN(CC)C(=O)c1[nH]cnc1C(=O)NCC(=O)OC(C)(C)C
InChIInChI=1S/C15H24N4O4/c1-6-19(7-2)14(22)12-11(17-9-18-12)13(21)16-8-10(20)23-15(3,4)5/h9H,6-8H2,1-5H3,(H,16,21)(H,17,18)
InChIKeyIPTGDRRITYBXKR-UHFFFAOYSA-N
MW324.38 g/mol
LogP0.96
Rot. Bonds6

About tert-butyl 2-[[5-(diethylcarbamoyl)-1H-imidazole-4-carbonyl]amino]acetate

tert-butyl 2-[[5-(diethylcarbamoyl)-1H-imidazole-4-carbonyl]amino]acetate (PubChem CID 24793388) has the molecular formula C15H24N4O4 and a molecular weight of 324.38 g/mol. Its IUPAC name is tert-butyl 2-[[5-(diethylcarbamoyl)-1H-imidazole-4-carbonyl]amino]acetate.

Molecular Properties

Compound Nametert-butyl 2-[[5-(diethylcarbamoyl)-1H-imidazole-4-carbonyl]amino]acetate
PubChem CID24793388
Molecular FormulaC15H24N4O4
Molecular Weight324.38 g/mol
Exact Mass324.18
IUPAC Nametert-butyl 2-[[5-(diethylcarbamoyl)-1H-imidazole-4-carbonyl]amino]acetate
SMILESCCN(CC)C(=O)c1[nH]cnc1C(=O)NCC(=O)OC(C)(C)C
InChIInChI=1S/C15H24N4O4/c1-6-19(7-2)14(22)12-11(17-9-18-12)13(21)16-8-10(20)23-15(3,4)5/h9H,6-8H2,1-5H3,(H,16,21)(H,17,18)
InChIKeyIPTGDRRITYBXKR-UHFFFAOYSA-N
XLogP0.96
TPSA104.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Ethimizol
CID 6168
N4,N5-Dimethyl-1H-imidazole-4,5-dicarboxamide
CID 101504
N4,N5-Diethyl-1H-imidazole-4,5-dicarboxamide
CID 65549
Ilp-II-84
CID 16196396
Ilp-II-42
CID 16196403
Ilp-II-76
CID 16196405
Ilp-II-77
CID 16196482
(2S)-4-methyl-2-[[[5-[[5-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]pentylamino]-oxomethyl]-1H-imidazol-4-yl]-oxomethyl]amino]pentanoic acid tert-butyl ester
CID 16196552
Ilp-II-18
CID 16196565
Ilp-II-26
CID 16196664
tert-butyl (2S)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[[5-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]carbamoyl]-1H-imidazole-4-carbonyl]amino]hexanoate
CID 16746553
tert-butyl (2S)-4-methyl-2-[[4-[[(2S)-4-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxopentan-2-yl]carbamoyl]-1H-imidazole-5-carbonyl]amino]pentanoate
CID 16746554

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[[5-(diethylcarbamoyl)-1H-imidazole-4-carbonyl]amino]acetate?
The IUPAC name of tert-butyl 2-[[5-(diethylcarbamoyl)-1H-imidazole-4-carbonyl]amino]acetate (CID 24793388) is tert-butyl 2-[[5-(diethylcarbamoyl)-1H-imidazole-4-carbonyl]amino]acetate.
What is the SMILES notation for tert-butyl 2-[[5-(diethylcarbamoyl)-1H-imidazole-4-carbonyl]amino]acetate?
The canonical SMILES for tert-butyl 2-[[5-(diethylcarbamoyl)-1H-imidazole-4-carbonyl]amino]acetate is CCN(CC)C(=O)c1[nH]cnc1C(=O)NCC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-[[5-(diethylcarbamoyl)-1H-imidazole-4-carbonyl]amino]acetate?
The InChIKey is IPTGDRRITYBXKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O4/c1-6-19(7-2)14(22)12-11(17-9-18-12)13(21)16-8-10(20)23-15(3,4)5/h9H,6-8H2,1-5H3,(H,16,21)(H,17,18).
What are the key properties of tert-butyl 2-[[5-(diethylcarbamoyl)-1H-imidazole-4-carbonyl]amino]acetate?
tert-butyl 2-[[5-(diethylcarbamoyl)-1H-imidazole-4-carbonyl]amino]acetate has a molecular weight of 324.38 g/mol, XLogP of 0.96, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[[5-(diethylcarbamoyl)-1H-imidazole-4-carbonyl]amino]acetate is sourced from PubChem (CID 24793388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).