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

C11H20N4O — CID 62836681

IUPAC2-(ethylamino)-N-(2-imidazol-1-ylethyl)-2-methylpropanamide
SMILESCCNC(C)(C)C(=O)NCCn1ccnc1
InChIInChI=1S/C11H20N4O/c1-4-14-11(2,3)10(16)13-6-8-15-7-5-12-9-15/h5,7,9,14H,4,6,8H2,1-3H3,(H,13,16)
InChIKeyRXYVFKHVPCZBAN-UHFFFAOYSA-N
MW224.31 g/mol
LogP0.39
Rot. Bonds6

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

2-(ethylamino)-N-(2-imidazol-1-ylethyl)-2-methylpropanamide (PubChem CID 62836681) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is 2-(ethylamino)-N-(2-imidazol-1-ylethyl)-2-methylpropanamide.

Molecular Properties

Compound Name2-(ethylamino)-N-(2-imidazol-1-ylethyl)-2-methylpropanamide
PubChem CID62836681
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name2-(ethylamino)-N-(2-imidazol-1-ylethyl)-2-methylpropanamide
SMILESCCNC(C)(C)C(=O)NCCn1ccnc1
InChIInChI=1S/C11H20N4O/c1-4-14-11(2,3)10(16)13-6-8-15-7-5-12-9-15/h5,7,9,14H,4,6,8H2,1-3H3,(H,13,16)
InChIKeyRXYVFKHVPCZBAN-UHFFFAOYSA-N
XLogP0.39
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 50.39
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-amino-N-(2-imidazol-1-ylethyl)-2-methylpropanamide
CID 61325537
2,2,2-trifluoro-N-(6-imidazol-1-ylhexyl)acetamide
CID 110443177
2-bromo-N-(2-imidazol-1-ylethyl)propanamide
CID 82108600
1-(2-imidazol-1-ylethyl)-3-methylurea
CID 58988197
N-(2-imidazol-1-ylethyl)-2-methoxyacetamide
CID 60724975
2-imidazol-1-ylethylurea
CID 61061185
2-(N'-hydroxycarbamimidoyl)-N-(2-imidazol-1-ylethyl)-2-propylpentanamide
CID 76925978
4-(2-imidazol-1-ylethylamino)-2-methyl-4-oxo-2-propan-2-ylbutanoic acid
CID 61324907
2-bromo-N-(2-imidazol-1-ylethyl)-3-methylbutanamide
CID 61325327
propan-2-yl N-(2-imidazol-1-ylethyl)carbamate
CID 116654702
(2S)-2-amino-N-(2-imidazol-1-ylethyl)-3-methylpentanamide
CID 61326563

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-N-(2-imidazol-1-ylethyl)-2-methylpropanamide?
The IUPAC name of 2-(ethylamino)-N-(2-imidazol-1-ylethyl)-2-methylpropanamide (CID 62836681) is 2-(ethylamino)-N-(2-imidazol-1-ylethyl)-2-methylpropanamide.
What is the SMILES notation for 2-(ethylamino)-N-(2-imidazol-1-ylethyl)-2-methylpropanamide?
The canonical SMILES for 2-(ethylamino)-N-(2-imidazol-1-ylethyl)-2-methylpropanamide is CCNC(C)(C)C(=O)NCCn1ccnc1.
What is the InChIKey of 2-(ethylamino)-N-(2-imidazol-1-ylethyl)-2-methylpropanamide?
The InChIKey is RXYVFKHVPCZBAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-4-14-11(2,3)10(16)13-6-8-15-7-5-12-9-15/h5,7,9,14H,4,6,8H2,1-3H3,(H,13,16).
What are the key properties of 2-(ethylamino)-N-(2-imidazol-1-ylethyl)-2-methylpropanamide?
2-(ethylamino)-N-(2-imidazol-1-ylethyl)-2-methylpropanamide has a molecular weight of 224.31 g/mol, XLogP of 0.39, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-N-(2-imidazol-1-ylethyl)-2-methylpropanamide is sourced from PubChem (CID 62836681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).