2-amino-3,3-dimethyl-N-[4-(2-oxo-1H-imidazol-3-yl)phenyl]butanamide

C15H20N4O2 — CID 76888014

IUPAC2-amino-3,3-dimethyl-N-[4-(2-oxo-1H-imidazol-3-yl)phenyl]butanamide
SMILESCC(C)(C)C(N)C(=O)Nc1ccc(-n2cc[nH]c2=O)cc1
InChIInChI=1S/C15H20N4O2/c1-15(2,3)12(16)13(20)18-10-4-6-11(7-5-10)19-9-8-17-14(19)21/h4-9,12H,16H2,1-3H3,(H,17,21)(H,18,20)
InChIKeyGPGUFOYFDBLVLU-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.48
Rot. Bonds3

About 2-amino-3,3-dimethyl-N-[4-(2-oxo-1H-imidazol-3-yl)phenyl]butanamide

2-amino-3,3-dimethyl-N-[4-(2-oxo-1H-imidazol-3-yl)phenyl]butanamide (PubChem CID 76888014) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 2-amino-3,3-dimethyl-N-[4-(2-oxo-1H-imidazol-3-yl)phenyl]butanamide.

Molecular Properties

Compound Name2-amino-3,3-dimethyl-N-[4-(2-oxo-1H-imidazol-3-yl)phenyl]butanamide
PubChem CID76888014
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name2-amino-3,3-dimethyl-N-[4-(2-oxo-1H-imidazol-3-yl)phenyl]butanamide
SMILESCC(C)(C)C(N)C(=O)Nc1ccc(-n2cc[nH]c2=O)cc1
InChIInChI=1S/C15H20N4O2/c1-15(2,3)12(16)13(20)18-10-4-6-11(7-5-10)19-9-8-17-14(19)21/h4-9,12H,16H2,1-3H3,(H,17,21)(H,18,20)
InChIKeyGPGUFOYFDBLVLU-UHFFFAOYSA-N
XLogP1.48
TPSA92.91 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(methylamino)-N-[4-(2-oxo-1H-imidazol-3-yl)phenyl]propanamide
CID 62637310
(2S)-2-amino-3-methyl-N-[4-(2-oxo-1H-imidazol-3-yl)phenyl]pentanamide
CID 61174783
2-amino-2-cyclopropyl-N-[4-(2-oxo-1H-imidazol-3-yl)phenyl]propanamide
CID 60928039
(2S)-2-amino-3,3-dimethyl-N-(4-pyrazol-1-ylphenyl)butanamide
CID 61177988
(2S)-2-amino-3,3-dimethyl-N-[4-(2-oxoimidazolidin-1-yl)phenyl]butanamide
CID 61178236
2-methoxy-N-[4-(2-oxo-1H-imidazol-3-yl)phenyl]acetamide
CID 47265723
2-amino-N-[4-(carbamoylamino)phenyl]-3,3-dimethylbutanamide
CID 76887492
3-[4-[2-(tert-butylamino)ethylamino]phenyl]-1H-imidazol-2-one
CID 107445375
(2S)-2-amino-3,3-dimethyl-N-[4-(2-oxopyrrolidin-1-yl)phenyl]butanamide
CID 61155138
(2S)-2-amino-N-(4-bromophenyl)-3,3-dimethylbutanamide
CID 61149215
(2S)-2-amino-N-[4-(benzimidazol-1-yl)phenyl]-3,3-dimethylbutanamide
CID 119834362
(2S)-2-amino-N-(4-bromophenyl)-3,3-dimethylbutanamide;hydrochloride
CID 119670354

Frequently Asked Questions

What is the IUPAC name of 2-amino-3,3-dimethyl-N-[4-(2-oxo-1H-imidazol-3-yl)phenyl]butanamide?
The IUPAC name of 2-amino-3,3-dimethyl-N-[4-(2-oxo-1H-imidazol-3-yl)phenyl]butanamide (CID 76888014) is 2-amino-3,3-dimethyl-N-[4-(2-oxo-1H-imidazol-3-yl)phenyl]butanamide.
What is the SMILES notation for 2-amino-3,3-dimethyl-N-[4-(2-oxo-1H-imidazol-3-yl)phenyl]butanamide?
The canonical SMILES for 2-amino-3,3-dimethyl-N-[4-(2-oxo-1H-imidazol-3-yl)phenyl]butanamide is CC(C)(C)C(N)C(=O)Nc1ccc(-n2cc[nH]c2=O)cc1.
What is the InChIKey of 2-amino-3,3-dimethyl-N-[4-(2-oxo-1H-imidazol-3-yl)phenyl]butanamide?
The InChIKey is GPGUFOYFDBLVLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-15(2,3)12(16)13(20)18-10-4-6-11(7-5-10)19-9-8-17-14(19)21/h4-9,12H,16H2,1-3H3,(H,17,21)(H,18,20).
What are the key properties of 2-amino-3,3-dimethyl-N-[4-(2-oxo-1H-imidazol-3-yl)phenyl]butanamide?
2-amino-3,3-dimethyl-N-[4-(2-oxo-1H-imidazol-3-yl)phenyl]butanamide has a molecular weight of 288.35 g/mol, XLogP of 1.48, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3,3-dimethyl-N-[4-(2-oxo-1H-imidazol-3-yl)phenyl]butanamide is sourced from PubChem (CID 76888014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).