(2S)-2-amino-3,3-dimethyl-N-[4-(2-oxoimidazolidin-1-yl)phenyl]butanamide

C15H22N4O2 — CID 61178236

IUPAC(2S)-2-amino-3,3-dimethyl-N-[4-(2-oxoimidazolidin-1-yl)phenyl]butanamide
SMILESCC(C)(C)[C@H](N)C(=O)Nc1ccc(N2CCNC2=O)cc1
InChIInChI=1S/C15H22N4O2/c1-15(2,3)12(16)13(20)18-10-4-6-11(7-5-10)19-9-8-17-14(19)21/h4-7,12H,8-9,16H2,1-3H3,(H,17,21)(H,18,20)/t12-/m1/s1
InChIKeyXKBSFECMEKIKDY-GFCCVEGCSA-N
MW290.37 g/mol
LogP1.53
Rot. Bonds3

About (2S)-2-amino-3,3-dimethyl-N-[4-(2-oxoimidazolidin-1-yl)phenyl]butanamide

(2S)-2-amino-3,3-dimethyl-N-[4-(2-oxoimidazolidin-1-yl)phenyl]butanamide (PubChem CID 61178236) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is (2S)-2-amino-3,3-dimethyl-N-[4-(2-oxoimidazolidin-1-yl)phenyl]butanamide.

Molecular Properties

Compound Name(2S)-2-amino-3,3-dimethyl-N-[4-(2-oxoimidazolidin-1-yl)phenyl]butanamide
PubChem CID61178236
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Name(2S)-2-amino-3,3-dimethyl-N-[4-(2-oxoimidazolidin-1-yl)phenyl]butanamide
SMILESCC(C)(C)[C@H](N)C(=O)Nc1ccc(N2CCNC2=O)cc1
InChIInChI=1S/C15H22N4O2/c1-15(2,3)12(16)13(20)18-10-4-6-11(7-5-10)19-9-8-17-14(19)21/h4-7,12H,8-9,16H2,1-3H3,(H,17,21)(H,18,20)/t12-/m1/s1
InChIKeyXKBSFECMEKIKDY-GFCCVEGCSA-N
XLogP1.53
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 51.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[4-(2-oxoimidazolidin-1-yl)phenyl]propanamide;hydrochloride
CID 119276066
(2S)-2-amino-N-[4-(2-oxoimidazolidin-1-yl)phenyl]butanamide;hydrochloride
CID 119276073
(2S)-2-amino-3,3-dimethyl-N-[4-(2-oxopyrrolidin-1-yl)phenyl]butanamide
CID 61155138
2-(carbamoylamino)-N-[4-(2-oxoimidazolidin-1-yl)phenyl]propanamide
CID 60707218
2-amino-N-[4-(2-oxoimidazolidin-1-yl)phenyl]acetamide
CID 43709823
(2S)-2-amino-3,3-dimethyl-N-(4-pyrazol-1-ylphenyl)butanamide
CID 61177988
N-[4-(2-oxoimidazolidin-1-yl)phenyl]but-2-ynamide
CID 107989836
2-amino-3,3-dimethyl-N-[4-(2-oxo-1H-imidazol-3-yl)phenyl]butanamide
CID 76888014
N-[1-oxo-1-[4-(2-oxoimidazolidin-1-yl)anilino]propan-2-yl]thiophene-2-carboxamide
CID 51300241
N-[4-(2-oxo-1,3-diazinan-1-yl)phenyl]acetamide
CID 110666665
1-ethyl-1-methyl-3-[4-(2-oxoimidazolidin-1-yl)phenyl]urea
CID 78917136
(2S)-2-amino-N-(4-bromophenyl)-3,3-dimethylbutanamide
CID 61149215

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3,3-dimethyl-N-[4-(2-oxoimidazolidin-1-yl)phenyl]butanamide?
The IUPAC name of (2S)-2-amino-3,3-dimethyl-N-[4-(2-oxoimidazolidin-1-yl)phenyl]butanamide (CID 61178236) is (2S)-2-amino-3,3-dimethyl-N-[4-(2-oxoimidazolidin-1-yl)phenyl]butanamide.
What is the SMILES notation for (2S)-2-amino-3,3-dimethyl-N-[4-(2-oxoimidazolidin-1-yl)phenyl]butanamide?
The canonical SMILES for (2S)-2-amino-3,3-dimethyl-N-[4-(2-oxoimidazolidin-1-yl)phenyl]butanamide is CC(C)(C)[C@H](N)C(=O)Nc1ccc(N2CCNC2=O)cc1.
What is the InChIKey of (2S)-2-amino-3,3-dimethyl-N-[4-(2-oxoimidazolidin-1-yl)phenyl]butanamide?
The InChIKey is XKBSFECMEKIKDY-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-15(2,3)12(16)13(20)18-10-4-6-11(7-5-10)19-9-8-17-14(19)21/h4-7,12H,8-9,16H2,1-3H3,(H,17,21)(H,18,20)/t12-/m1/s1.
What are the key properties of (2S)-2-amino-3,3-dimethyl-N-[4-(2-oxoimidazolidin-1-yl)phenyl]butanamide?
(2S)-2-amino-3,3-dimethyl-N-[4-(2-oxoimidazolidin-1-yl)phenyl]butanamide has a molecular weight of 290.37 g/mol, XLogP of 1.53, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3,3-dimethyl-N-[4-(2-oxoimidazolidin-1-yl)phenyl]butanamide is sourced from PubChem (CID 61178236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).