(2S)-2-amino-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-3-methylbutanamide;hydrochloride

C15H21ClN4O3 — CID 119288695

IUPAC(2S)-2-amino-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-3-methylbutanamide;hydrochloride
SMILESCC(C)[C@H](N)C(=O)Nc1cccc(CN2C(=O)CNC2=O)c1.Cl
InChIInChI=1S/C15H20N4O3.ClH/c1-9(2)13(16)14(21)18-11-5-3-4-10(6-11)8-19-12(20)7-17-15(19)22;/h3-6,9,13H,7-8,16H2,1-2H3,(H,17,22)(H,18,21);1H/t13-;/m0./s1
InChIKeyAUEMNKZUDBYORA-ZOWNYOTGSA-N
MW340.81 g/mol
LogP1.08
Rot. Bonds5

About (2S)-2-amino-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-3-methylbutanamide;hydrochloride

(2S)-2-amino-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-3-methylbutanamide;hydrochloride (PubChem CID 119288695) has the molecular formula C15H21ClN4O3 and a molecular weight of 340.81 g/mol. Its IUPAC name is (2S)-2-amino-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-3-methylbutanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-3-methylbutanamide;hydrochloride
PubChem CID119288695
Molecular FormulaC15H21ClN4O3
Molecular Weight340.81 g/mol
Exact Mass340.13
IUPAC Name(2S)-2-amino-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-3-methylbutanamide;hydrochloride
SMILESCC(C)[C@H](N)C(=O)Nc1cccc(CN2C(=O)CNC2=O)c1.Cl
InChIInChI=1S/C15H20N4O3.ClH/c1-9(2)13(16)14(21)18-11-5-3-4-10(6-11)8-19-12(20)7-17-15(19)22;/h3-6,9,13H,7-8,16H2,1-2H3,(H,17,22)(H,18,21);1H/t13-;/m0./s1
InChIKeyAUEMNKZUDBYORA-ZOWNYOTGSA-N
XLogP1.08
TPSA104.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.81
LogP ≤ 51.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]propanamide
CID 119288680
N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-2-(4-methylphenoxy)propanamide
CID 55617134
2-amino-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-2-methylpentanamide;hydrochloride
CID 119722221
N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-3-(4-propan-2-ylphenyl)propanamide
CID 55853093
(2S)-2-amino-N-[3-(hydroxymethyl)phenyl]-3-methylbutanamide
CID 61179301
2-amino-N-[3-[(dimethylamino)methyl]phenyl]-3-methylbutanamide;dihydrochloride
CID 119853134
3,3-dicyclopropyl-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]prop-2-enamide
CID 71889492
2-(2,6-dimethylphenoxy)-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]acetamide
CID 55617163
N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-2-(2-ethylphenoxy)acetamide
CID 55617362
(2S)-2-amino-N-[3-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]-3-methylbutanamide
CID 119872351
N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]pyrrolidine-2-carboxamide
CID 119288678
3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]propanamide
CID 37055107

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-3-methylbutanamide;hydrochloride?
The IUPAC name of (2S)-2-amino-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-3-methylbutanamide;hydrochloride (CID 119288695) is (2S)-2-amino-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-3-methylbutanamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-3-methylbutanamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-3-methylbutanamide;hydrochloride is CC(C)[C@H](N)C(=O)Nc1cccc(CN2C(=O)CNC2=O)c1.Cl.
What is the InChIKey of (2S)-2-amino-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-3-methylbutanamide;hydrochloride?
The InChIKey is AUEMNKZUDBYORA-ZOWNYOTGSA-N. The full InChI is InChI=1S/C15H20N4O3.ClH/c1-9(2)13(16)14(21)18-11-5-3-4-10(6-11)8-19-12(20)7-17-15(19)22;/h3-6,9,13H,7-8,16H2,1-2H3,(H,17,22)(H,18,21);1H/t13-;/m0./s1.
What are the key properties of (2S)-2-amino-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-3-methylbutanamide;hydrochloride?
(2S)-2-amino-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-3-methylbutanamide;hydrochloride has a molecular weight of 340.81 g/mol, XLogP of 1.08, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-3-methylbutanamide;hydrochloride is sourced from PubChem (CID 119288695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).