ethyl N-[4-methyl-1-[(1-methylimidazole-4-carbonyl)amino]pentan-2-yl]carbamate

C14H24N4O3 — CID 71846597

IUPACethyl N-[4-methyl-1-[(1-methylimidazole-4-carbonyl)amino]pentan-2-yl]carbamate
SMILESCCOC(=O)NC(CNC(=O)c1cn(C)cn1)CC(C)C
InChIInChI=1S/C14H24N4O3/c1-5-21-14(20)17-11(6-10(2)3)7-15-13(19)12-8-18(4)9-16-12/h8-11H,5-7H2,1-4H3,(H,15,19)(H,17,20)
InChIKeyIBWQXACIQSUDDE-UHFFFAOYSA-N
MW296.37 g/mol
LogP1.31
Rot. Bonds7

About ethyl N-[4-methyl-1-[(1-methylimidazole-4-carbonyl)amino]pentan-2-yl]carbamate

ethyl N-[4-methyl-1-[(1-methylimidazole-4-carbonyl)amino]pentan-2-yl]carbamate (PubChem CID 71846597) has the molecular formula C14H24N4O3 and a molecular weight of 296.37 g/mol. Its IUPAC name is ethyl N-[4-methyl-1-[(1-methylimidazole-4-carbonyl)amino]pentan-2-yl]carbamate.

Molecular Properties

Compound Nameethyl N-[4-methyl-1-[(1-methylimidazole-4-carbonyl)amino]pentan-2-yl]carbamate
PubChem CID71846597
Molecular FormulaC14H24N4O3
Molecular Weight296.37 g/mol
Exact Mass296.18
IUPAC Nameethyl N-[4-methyl-1-[(1-methylimidazole-4-carbonyl)amino]pentan-2-yl]carbamate
SMILESCCOC(=O)NC(CNC(=O)c1cn(C)cn1)CC(C)C
InChIInChI=1S/C14H24N4O3/c1-5-21-14(20)17-11(6-10(2)3)7-15-13(19)12-8-18(4)9-16-12/h8-11H,5-7H2,1-4H3,(H,15,19)(H,17,20)
InChIKeyIBWQXACIQSUDDE-UHFFFAOYSA-N
XLogP1.31
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl N-[4-methyl-1-[(1-methylimidazole-4-carbonyl)amino]pentan-2-yl]carbamate?
The IUPAC name of ethyl N-[4-methyl-1-[(1-methylimidazole-4-carbonyl)amino]pentan-2-yl]carbamate (CID 71846597) is ethyl N-[4-methyl-1-[(1-methylimidazole-4-carbonyl)amino]pentan-2-yl]carbamate.
What is the SMILES notation for ethyl N-[4-methyl-1-[(1-methylimidazole-4-carbonyl)amino]pentan-2-yl]carbamate?
The canonical SMILES for ethyl N-[4-methyl-1-[(1-methylimidazole-4-carbonyl)amino]pentan-2-yl]carbamate is CCOC(=O)NC(CNC(=O)c1cn(C)cn1)CC(C)C.
What is the InChIKey of ethyl N-[4-methyl-1-[(1-methylimidazole-4-carbonyl)amino]pentan-2-yl]carbamate?
The InChIKey is IBWQXACIQSUDDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O3/c1-5-21-14(20)17-11(6-10(2)3)7-15-13(19)12-8-18(4)9-16-12/h8-11H,5-7H2,1-4H3,(H,15,19)(H,17,20).
What are the key properties of ethyl N-[4-methyl-1-[(1-methylimidazole-4-carbonyl)amino]pentan-2-yl]carbamate?
ethyl N-[4-methyl-1-[(1-methylimidazole-4-carbonyl)amino]pentan-2-yl]carbamate has a molecular weight of 296.37 g/mol, XLogP of 1.31, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[4-methyl-1-[(1-methylimidazole-4-carbonyl)amino]pentan-2-yl]carbamate is sourced from PubChem (CID 71846597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).