2-amino-N-(2-imidazol-1-ylethyl)-2-methylpropanamide

C9H16N4O — CID 61325537

IUPAC2-amino-N-(2-imidazol-1-ylethyl)-2-methylpropanamide
SMILESCC(C)(N)C(=O)NCCn1ccnc1
InChIInChI=1S/C9H16N4O/c1-9(2,10)8(14)12-4-6-13-5-3-11-7-13/h3,5,7H,4,6,10H2,1-2H3,(H,12,14)
InChIKeyVOAYTONTGAYIIO-UHFFFAOYSA-N
MW196.25 g/mol
LogP-0.26
Rot. Bonds4

About 2-amino-N-(2-imidazol-1-ylethyl)-2-methylpropanamide

2-amino-N-(2-imidazol-1-ylethyl)-2-methylpropanamide (PubChem CID 61325537) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is 2-amino-N-(2-imidazol-1-ylethyl)-2-methylpropanamide.

Molecular Properties

Compound Name2-amino-N-(2-imidazol-1-ylethyl)-2-methylpropanamide
PubChem CID61325537
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC Name2-amino-N-(2-imidazol-1-ylethyl)-2-methylpropanamide
SMILESCC(C)(N)C(=O)NCCn1ccnc1
InChIInChI=1S/C9H16N4O/c1-9(2,10)8(14)12-4-6-13-5-3-11-7-13/h3,5,7H,4,6,10H2,1-2H3,(H,12,14)
InChIKeyVOAYTONTGAYIIO-UHFFFAOYSA-N
XLogP-0.26
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 5-0.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-hydroxy-N-(2-imidazol-1-ylethyl)-2-methylpropanamide
CID 103429654
2-(ethylamino)-N-(2-imidazol-1-ylethyl)-2-methylpropanamide
CID 62836681
2-imidazol-1-ylethylurea
CID 61061185
1-(2-imidazol-1-ylethyl)-3-methylurea
CID 58988197
3-amino-N-(3-imidazol-1-ylpropyl)-3-methylbutanamide
CID 64686152
2-(N'-hydroxycarbamimidoyl)-N-(2-imidazol-1-ylethyl)-2-propylpentanamide
CID 76925978
2-bromo-N-(2-imidazol-1-ylethyl)propanamide
CID 82108600
3-amino-3-hydroxyimino-N-(3-imidazol-1-ylpropyl)-2,2-dimethylpropanamide
CID 76920009
3-amino-N-(2-imidazol-1-ylethyl)-3-sulfanylidenepropanamide
CID 61460885
N-(2-imidazol-1-ylethyl)-2-methoxyacetamide
CID 60724975
4-(2-imidazol-1-ylethylamino)-2-methyl-4-oxo-2-propan-2-ylbutanoic acid
CID 61324907
propan-2-yl N-(2-imidazol-1-ylethyl)carbamate
CID 116654702

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-imidazol-1-ylethyl)-2-methylpropanamide?
The IUPAC name of 2-amino-N-(2-imidazol-1-ylethyl)-2-methylpropanamide (CID 61325537) is 2-amino-N-(2-imidazol-1-ylethyl)-2-methylpropanamide.
What is the SMILES notation for 2-amino-N-(2-imidazol-1-ylethyl)-2-methylpropanamide?
The canonical SMILES for 2-amino-N-(2-imidazol-1-ylethyl)-2-methylpropanamide is CC(C)(N)C(=O)NCCn1ccnc1.
What is the InChIKey of 2-amino-N-(2-imidazol-1-ylethyl)-2-methylpropanamide?
The InChIKey is VOAYTONTGAYIIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O/c1-9(2,10)8(14)12-4-6-13-5-3-11-7-13/h3,5,7H,4,6,10H2,1-2H3,(H,12,14).
What are the key properties of 2-amino-N-(2-imidazol-1-ylethyl)-2-methylpropanamide?
2-amino-N-(2-imidazol-1-ylethyl)-2-methylpropanamide has a molecular weight of 196.25 g/mol, XLogP of -0.26, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-imidazol-1-ylethyl)-2-methylpropanamide is sourced from PubChem (CID 61325537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).