N-[2-(ethylamino)-2-oxoethyl]imidazole-1-carboxamide

C8H12N4O2 — CID 43566693

IUPACN-[2-(ethylamino)-2-oxoethyl]imidazole-1-carboxamide
SMILESCCNC(=O)CNC(=O)n1ccnc1
InChIInChI=1S/C8H12N4O2/c1-2-10-7(13)5-11-8(14)12-4-3-9-6-12/h3-4,6H,2,5H2,1H3,(H,10,13)(H,11,14)
InChIKeyCGTKOYJKAWTIJP-UHFFFAOYSA-N
MW196.21 g/mol
LogP-0.42
Rot. Bonds3

About N-[2-(ethylamino)-2-oxoethyl]imidazole-1-carboxamide

N-[2-(ethylamino)-2-oxoethyl]imidazole-1-carboxamide (PubChem CID 43566693) has the molecular formula C8H12N4O2 and a molecular weight of 196.21 g/mol. Its IUPAC name is N-[2-(ethylamino)-2-oxoethyl]imidazole-1-carboxamide.

Molecular Properties

Compound NameN-[2-(ethylamino)-2-oxoethyl]imidazole-1-carboxamide
PubChem CID43566693
Molecular FormulaC8H12N4O2
Molecular Weight196.21 g/mol
Exact Mass196.10
IUPAC NameN-[2-(ethylamino)-2-oxoethyl]imidazole-1-carboxamide
SMILESCCNC(=O)CNC(=O)n1ccnc1
InChIInChI=1S/C8H12N4O2/c1-2-10-7(13)5-11-8(14)12-4-3-9-6-12/h3-4,6H,2,5H2,1H3,(H,10,13)(H,11,14)
InChIKeyCGTKOYJKAWTIJP-UHFFFAOYSA-N
XLogP-0.42
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 5-0.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(ethylamino)-2-oxoethyl]imidazole-1-carboxamide?
The IUPAC name of N-[2-(ethylamino)-2-oxoethyl]imidazole-1-carboxamide (CID 43566693) is N-[2-(ethylamino)-2-oxoethyl]imidazole-1-carboxamide.
What is the SMILES notation for N-[2-(ethylamino)-2-oxoethyl]imidazole-1-carboxamide?
The canonical SMILES for N-[2-(ethylamino)-2-oxoethyl]imidazole-1-carboxamide is CCNC(=O)CNC(=O)n1ccnc1.
What is the InChIKey of N-[2-(ethylamino)-2-oxoethyl]imidazole-1-carboxamide?
The InChIKey is CGTKOYJKAWTIJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O2/c1-2-10-7(13)5-11-8(14)12-4-3-9-6-12/h3-4,6H,2,5H2,1H3,(H,10,13)(H,11,14).
What are the key properties of N-[2-(ethylamino)-2-oxoethyl]imidazole-1-carboxamide?
N-[2-(ethylamino)-2-oxoethyl]imidazole-1-carboxamide has a molecular weight of 196.21 g/mol, XLogP of -0.42, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(ethylamino)-2-oxoethyl]imidazole-1-carboxamide is sourced from PubChem (CID 43566693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).