methyl N-[1-oxo-1-[(1-propylimidazol-2-yl)methylamino]propan-2-yl]carbamate

C12H20N4O3 — CID 91759966

IUPACmethyl N-[1-oxo-1-[(1-propylimidazol-2-yl)methylamino]propan-2-yl]carbamate
SMILESCCCn1ccnc1CNC(=O)C(C)NC(=O)OC
InChIInChI=1S/C12H20N4O3/c1-4-6-16-7-5-13-10(16)8-14-11(17)9(2)15-12(18)19-3/h5,7,9H,4,6,8H2,1-3H3,(H,14,17)(H,15,18)
InChIKeyABCXVKLWZQUBIT-UHFFFAOYSA-N
MW268.32 g/mol
LogP0.65
Rot. Bonds6

About methyl N-[1-oxo-1-[(1-propylimidazol-2-yl)methylamino]propan-2-yl]carbamate

methyl N-[1-oxo-1-[(1-propylimidazol-2-yl)methylamino]propan-2-yl]carbamate (PubChem CID 91759966) has the molecular formula C12H20N4O3 and a molecular weight of 268.32 g/mol. Its IUPAC name is methyl N-[1-oxo-1-[(1-propylimidazol-2-yl)methylamino]propan-2-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[1-oxo-1-[(1-propylimidazol-2-yl)methylamino]propan-2-yl]carbamate
PubChem CID91759966
Molecular FormulaC12H20N4O3
Molecular Weight268.32 g/mol
Exact Mass268.15
IUPAC Namemethyl N-[1-oxo-1-[(1-propylimidazol-2-yl)methylamino]propan-2-yl]carbamate
SMILESCCCn1ccnc1CNC(=O)C(C)NC(=O)OC
InChIInChI=1S/C12H20N4O3/c1-4-6-16-7-5-13-10(16)8-14-11(17)9(2)15-12(18)19-3/h5,7,9H,4,6,8H2,1-3H3,(H,14,17)(H,15,18)
InChIKeyABCXVKLWZQUBIT-UHFFFAOYSA-N
XLogP0.65
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl N-[1-oxo-1-[(1-propylimidazol-2-yl)methylamino]propan-2-yl]carbamate?
The IUPAC name of methyl N-[1-oxo-1-[(1-propylimidazol-2-yl)methylamino]propan-2-yl]carbamate (CID 91759966) is methyl N-[1-oxo-1-[(1-propylimidazol-2-yl)methylamino]propan-2-yl]carbamate.
What is the SMILES notation for methyl N-[1-oxo-1-[(1-propylimidazol-2-yl)methylamino]propan-2-yl]carbamate?
The canonical SMILES for methyl N-[1-oxo-1-[(1-propylimidazol-2-yl)methylamino]propan-2-yl]carbamate is CCCn1ccnc1CNC(=O)C(C)NC(=O)OC.
What is the InChIKey of methyl N-[1-oxo-1-[(1-propylimidazol-2-yl)methylamino]propan-2-yl]carbamate?
The InChIKey is ABCXVKLWZQUBIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O3/c1-4-6-16-7-5-13-10(16)8-14-11(17)9(2)15-12(18)19-3/h5,7,9H,4,6,8H2,1-3H3,(H,14,17)(H,15,18).
What are the key properties of methyl N-[1-oxo-1-[(1-propylimidazol-2-yl)methylamino]propan-2-yl]carbamate?
methyl N-[1-oxo-1-[(1-propylimidazol-2-yl)methylamino]propan-2-yl]carbamate has a molecular weight of 268.32 g/mol, XLogP of 0.65, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[1-oxo-1-[(1-propylimidazol-2-yl)methylamino]propan-2-yl]carbamate is sourced from PubChem (CID 91759966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).