N-ethyl-N-(3-hydroxypropyl)-3-methylimidazole-4-carboxamide

C10H17N3O2 — CID 103511391

IUPACN-ethyl-N-(3-hydroxypropyl)-3-methylimidazole-4-carboxamide
SMILESCCN(CCCO)C(=O)c1cncn1C
InChIInChI=1S/C10H17N3O2/c1-3-13(5-4-6-14)10(15)9-7-11-8-12(9)2/h7-8,14H,3-6H2,1-2H3
InChIKeyMMAXJRSXMSARCH-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.26
Rot. Bonds5

About N-ethyl-N-(3-hydroxypropyl)-3-methylimidazole-4-carboxamide

N-ethyl-N-(3-hydroxypropyl)-3-methylimidazole-4-carboxamide (PubChem CID 103511391) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is N-ethyl-N-(3-hydroxypropyl)-3-methylimidazole-4-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-(3-hydroxypropyl)-3-methylimidazole-4-carboxamide
PubChem CID103511391
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC NameN-ethyl-N-(3-hydroxypropyl)-3-methylimidazole-4-carboxamide
SMILESCCN(CCCO)C(=O)c1cncn1C
InChIInChI=1S/C10H17N3O2/c1-3-13(5-4-6-14)10(15)9-7-11-8-12(9)2/h7-8,14H,3-6H2,1-2H3
InChIKeyMMAXJRSXMSARCH-UHFFFAOYSA-N
XLogP0.26
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(3-hydroxypropyl)-3-methylimidazole-4-carboxamide?
The IUPAC name of N-ethyl-N-(3-hydroxypropyl)-3-methylimidazole-4-carboxamide (CID 103511391) is N-ethyl-N-(3-hydroxypropyl)-3-methylimidazole-4-carboxamide.
What is the SMILES notation for N-ethyl-N-(3-hydroxypropyl)-3-methylimidazole-4-carboxamide?
The canonical SMILES for N-ethyl-N-(3-hydroxypropyl)-3-methylimidazole-4-carboxamide is CCN(CCCO)C(=O)c1cncn1C.
What is the InChIKey of N-ethyl-N-(3-hydroxypropyl)-3-methylimidazole-4-carboxamide?
The InChIKey is MMAXJRSXMSARCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-3-13(5-4-6-14)10(15)9-7-11-8-12(9)2/h7-8,14H,3-6H2,1-2H3.
What are the key properties of N-ethyl-N-(3-hydroxypropyl)-3-methylimidazole-4-carboxamide?
N-ethyl-N-(3-hydroxypropyl)-3-methylimidazole-4-carboxamide has a molecular weight of 211.26 g/mol, XLogP of 0.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(3-hydroxypropyl)-3-methylimidazole-4-carboxamide is sourced from PubChem (CID 103511391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).