methyl N-[1-[2-(1-methylimidazol-2-yl)ethylamino]-1-oxopropan-2-yl]carbamate

C11H18N4O3 — CID 91766849

IUPACmethyl N-[1-[2-(1-methylimidazol-2-yl)ethylamino]-1-oxopropan-2-yl]carbamate
SMILESCOC(=O)NC(C)C(=O)NCCc1nccn1C
InChIInChI=1S/C11H18N4O3/c1-8(14-11(17)18-3)10(16)13-5-4-9-12-6-7-15(9)2/h6-8H,4-5H2,1-3H3,(H,13,16)(H,14,17)
InChIKeyLLRAOOWFIDJHIS-UHFFFAOYSA-N
MW254.29 g/mol
LogP-0.18
Rot. Bonds5

About methyl N-[1-[2-(1-methylimidazol-2-yl)ethylamino]-1-oxopropan-2-yl]carbamate

methyl N-[1-[2-(1-methylimidazol-2-yl)ethylamino]-1-oxopropan-2-yl]carbamate (PubChem CID 91766849) has the molecular formula C11H18N4O3 and a molecular weight of 254.29 g/mol. Its IUPAC name is methyl N-[1-[2-(1-methylimidazol-2-yl)ethylamino]-1-oxopropan-2-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[1-[2-(1-methylimidazol-2-yl)ethylamino]-1-oxopropan-2-yl]carbamate
PubChem CID91766849
Molecular FormulaC11H18N4O3
Molecular Weight254.29 g/mol
Exact Mass254.14
IUPAC Namemethyl N-[1-[2-(1-methylimidazol-2-yl)ethylamino]-1-oxopropan-2-yl]carbamate
SMILESCOC(=O)NC(C)C(=O)NCCc1nccn1C
InChIInChI=1S/C11H18N4O3/c1-8(14-11(17)18-3)10(16)13-5-4-9-12-6-7-15(9)2/h6-8H,4-5H2,1-3H3,(H,13,16)(H,14,17)
InChIKeyLLRAOOWFIDJHIS-UHFFFAOYSA-N
XLogP-0.18
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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N1-(3-(1H-imidazol-1-yl)propyl)-N2-cyclohexyloxalamide
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(2S)-3,3-Dimethyl-2-(((1-methyl-1H-imidazol-2-yl)methyl)amino)-N-((1R)-1,2,2-trimethylpropyl)butanamide
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(5S)-3-[3-(1H-imidazol-1-yl)propyl]-5-methylimidazolidine-2,4-dione
CID 7068409
(2E)-2-(hydroxyimino)-N-[3-(1H-imidazol-1-yl)propyl]propanamide
CID 9614329
2,2-dimethylpropyl N-(3-imidazol-1-ylpropyl)carbamate
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N-[2-(dimethylamino)ethyl]-4-formamido-1-methylimidazole-2-carboxamide
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methyl (2S)-2-(imidazole-1-carbonylamino)propanoate
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N1-(tert-butyl)-N2-(2-(2-methyl-1H-imidazol-1-yl)ethyl)oxalamide
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CID 47220680

Frequently Asked Questions

What is the IUPAC name of methyl N-[1-[2-(1-methylimidazol-2-yl)ethylamino]-1-oxopropan-2-yl]carbamate?
The IUPAC name of methyl N-[1-[2-(1-methylimidazol-2-yl)ethylamino]-1-oxopropan-2-yl]carbamate (CID 91766849) is methyl N-[1-[2-(1-methylimidazol-2-yl)ethylamino]-1-oxopropan-2-yl]carbamate.
What is the SMILES notation for methyl N-[1-[2-(1-methylimidazol-2-yl)ethylamino]-1-oxopropan-2-yl]carbamate?
The canonical SMILES for methyl N-[1-[2-(1-methylimidazol-2-yl)ethylamino]-1-oxopropan-2-yl]carbamate is COC(=O)NC(C)C(=O)NCCc1nccn1C.
What is the InChIKey of methyl N-[1-[2-(1-methylimidazol-2-yl)ethylamino]-1-oxopropan-2-yl]carbamate?
The InChIKey is LLRAOOWFIDJHIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O3/c1-8(14-11(17)18-3)10(16)13-5-4-9-12-6-7-15(9)2/h6-8H,4-5H2,1-3H3,(H,13,16)(H,14,17).
What are the key properties of methyl N-[1-[2-(1-methylimidazol-2-yl)ethylamino]-1-oxopropan-2-yl]carbamate?
methyl N-[1-[2-(1-methylimidazol-2-yl)ethylamino]-1-oxopropan-2-yl]carbamate has a molecular weight of 254.29 g/mol, XLogP of -0.18, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[1-[2-(1-methylimidazol-2-yl)ethylamino]-1-oxopropan-2-yl]carbamate is sourced from PubChem (CID 91766849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).