N-ethyl-2-[5-(hydroxymethyl)imidazol-1-yl]-N-methylpropanamide

C10H17N3O2 — CID 103113770

IUPACN-ethyl-2-[5-(hydroxymethyl)imidazol-1-yl]-N-methylpropanamide
SMILESCCN(C)C(=O)C(C)n1cncc1CO
InChIInChI=1S/C10H17N3O2/c1-4-12(3)10(15)8(2)13-7-11-5-9(13)6-14/h5,7-8,14H,4,6H2,1-3H3
InChIKeyNSUVQUBYXJZARQ-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.41
Rot. Bonds4

About N-ethyl-2-[5-(hydroxymethyl)imidazol-1-yl]-N-methylpropanamide

N-ethyl-2-[5-(hydroxymethyl)imidazol-1-yl]-N-methylpropanamide (PubChem CID 103113770) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is N-ethyl-2-[5-(hydroxymethyl)imidazol-1-yl]-N-methylpropanamide.

Molecular Properties

Compound NameN-ethyl-2-[5-(hydroxymethyl)imidazol-1-yl]-N-methylpropanamide
PubChem CID103113770
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC NameN-ethyl-2-[5-(hydroxymethyl)imidazol-1-yl]-N-methylpropanamide
SMILESCCN(C)C(=O)C(C)n1cncc1CO
InChIInChI=1S/C10H17N3O2/c1-4-12(3)10(15)8(2)13-7-11-5-9(13)6-14/h5,7-8,14H,4,6H2,1-3H3
InChIKeyNSUVQUBYXJZARQ-UHFFFAOYSA-N
XLogP0.41
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-(1-amino-2-hydroxyethyl)imidazol-1-yl]-N-ethyl-N-methylpropanamide
CID 103114266
N,N-dimethyl-2-[5-[(propan-2-ylamino)methyl]imidazol-1-yl]propanamide
CID 66146748
[3-(4-methylpentan-2-yl)imidazol-4-yl]methanol
CID 66151234
tert-butyl N-[2-[3-[1-(dimethylamino)-1-oxopropan-2-yl]imidazol-4-yl]ethyl]carbamate
CID 104952166
(4-cyanophenyl) 2-[5-(hydroxymethyl)imidazol-1-yl]propanoate
CID 68698511
1-(3-propan-2-ylimidazol-4-yl)propan-2-one
CID 83873505
[3-(1-cyclopropylbutan-2-yl)imidazol-4-yl]methanol
CID 66152064
2-[5-[(propan-2-ylamino)methyl]imidazol-1-yl]-N-propylpropanamide
CID 66151132
[3-(1-thiophen-3-ylpropan-2-yl)imidazol-4-yl]methanol
CID 66150617
2-[5-(1-amino-3-methylbutyl)imidazol-1-yl]-N,N-diethylpropanamide
CID 114707141
N-ethyl-N-methyl-2-(3-methyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)propanamide
CID 103112098
[3-[1-(2-chlorophenyl)ethyl]imidazol-4-yl]methanol
CID 66151440

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[5-(hydroxymethyl)imidazol-1-yl]-N-methylpropanamide?
The IUPAC name of N-ethyl-2-[5-(hydroxymethyl)imidazol-1-yl]-N-methylpropanamide (CID 103113770) is N-ethyl-2-[5-(hydroxymethyl)imidazol-1-yl]-N-methylpropanamide.
What is the SMILES notation for N-ethyl-2-[5-(hydroxymethyl)imidazol-1-yl]-N-methylpropanamide?
The canonical SMILES for N-ethyl-2-[5-(hydroxymethyl)imidazol-1-yl]-N-methylpropanamide is CCN(C)C(=O)C(C)n1cncc1CO.
What is the InChIKey of N-ethyl-2-[5-(hydroxymethyl)imidazol-1-yl]-N-methylpropanamide?
The InChIKey is NSUVQUBYXJZARQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-4-12(3)10(15)8(2)13-7-11-5-9(13)6-14/h5,7-8,14H,4,6H2,1-3H3.
What are the key properties of N-ethyl-2-[5-(hydroxymethyl)imidazol-1-yl]-N-methylpropanamide?
N-ethyl-2-[5-(hydroxymethyl)imidazol-1-yl]-N-methylpropanamide has a molecular weight of 211.26 g/mol, XLogP of 0.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[5-(hydroxymethyl)imidazol-1-yl]-N-methylpropanamide is sourced from PubChem (CID 103113770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).