2-amino-2-ethyl-N-[4-(1H-imidazol-5-yl)phenyl]butanamide

C15H20N4O — CID 79809348

IUPAC2-amino-2-ethyl-N-[4-(1H-imidazol-5-yl)phenyl]butanamide
SMILESCCC(N)(CC)C(=O)Nc1ccc(-c2cnc[nH]2)cc1
InChIInChI=1S/C15H20N4O/c1-3-15(16,4-2)14(20)19-12-7-5-11(6-8-12)13-9-17-10-18-13/h5-10H,3-4,16H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyFAYDIQNWUWOQOQ-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.53
Rot. Bonds5

About 2-amino-2-ethyl-N-[4-(1H-imidazol-5-yl)phenyl]butanamide

2-amino-2-ethyl-N-[4-(1H-imidazol-5-yl)phenyl]butanamide (PubChem CID 79809348) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 2-amino-2-ethyl-N-[4-(1H-imidazol-5-yl)phenyl]butanamide.

Molecular Properties

Compound Name2-amino-2-ethyl-N-[4-(1H-imidazol-5-yl)phenyl]butanamide
PubChem CID79809348
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name2-amino-2-ethyl-N-[4-(1H-imidazol-5-yl)phenyl]butanamide
SMILESCCC(N)(CC)C(=O)Nc1ccc(-c2cnc[nH]2)cc1
InChIInChI=1S/C15H20N4O/c1-3-15(16,4-2)14(20)19-12-7-5-11(6-8-12)13-9-17-10-18-13/h5-10H,3-4,16H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyFAYDIQNWUWOQOQ-UHFFFAOYSA-N
XLogP2.53
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2,2,2-trifluoro-N-[4-(1H-imidazol-5-yl)phenyl]acetamide
CID 62733559
2-amino-N-[4-(1H-imidazol-5-yl)phenyl]butanamide
CID 43709091
4-[4-(1H-imidazol-5-yl)anilino]-2,2-dimethyl-4-oxobutanoic acid
CID 65302307
(2R)-2-amino-N-[4-(1H-imidazol-5-yl)phenyl]-4-methylpentanamide
CID 104902852
N-[4-(1H-imidazol-5-yl)phenyl]-3-methylbut-2-enamide
CID 47143697
N-[4-(1H-imidazol-5-yl)phenyl]but-2-enamide
CID 78997234
4-chloro-N-[4-(1H-imidazol-5-yl)phenyl]butanamide
CID 55206350
trans-(1S,3S)-3-[[4-(1H-imidazol-5-yl)phenyl]carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 95391482
2-(4-ethoxyphenyl)-N-[4-(1H-imidazol-5-yl)phenyl]acetamide
CID 110668432
2-amino-2-ethyl-N-[4-(propanoylamino)phenyl]butanamide
CID 79810229
4-amino-N-[4-(1H-imidazol-5-yl)phenyl]cyclohexane-1-carboxamide
CID 60849609
2-amino-2-ethyl-N-(4-methylsulfanylphenyl)butanamide
CID 79809132

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-ethyl-N-[4-(1H-imidazol-5-yl)phenyl]butanamide?
The IUPAC name of 2-amino-2-ethyl-N-[4-(1H-imidazol-5-yl)phenyl]butanamide (CID 79809348) is 2-amino-2-ethyl-N-[4-(1H-imidazol-5-yl)phenyl]butanamide.
What is the SMILES notation for 2-amino-2-ethyl-N-[4-(1H-imidazol-5-yl)phenyl]butanamide?
The canonical SMILES for 2-amino-2-ethyl-N-[4-(1H-imidazol-5-yl)phenyl]butanamide is CCC(N)(CC)C(=O)Nc1ccc(-c2cnc[nH]2)cc1.
What is the InChIKey of 2-amino-2-ethyl-N-[4-(1H-imidazol-5-yl)phenyl]butanamide?
The InChIKey is FAYDIQNWUWOQOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-3-15(16,4-2)14(20)19-12-7-5-11(6-8-12)13-9-17-10-18-13/h5-10H,3-4,16H2,1-2H3,(H,17,18)(H,19,20).
What are the key properties of 2-amino-2-ethyl-N-[4-(1H-imidazol-5-yl)phenyl]butanamide?
2-amino-2-ethyl-N-[4-(1H-imidazol-5-yl)phenyl]butanamide has a molecular weight of 272.35 g/mol, XLogP of 2.53, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-ethyl-N-[4-(1H-imidazol-5-yl)phenyl]butanamide is sourced from PubChem (CID 79809348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).