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

C16H23ClN4O3 — CID 119722221

IUPAC2-amino-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-2-methylpentanamide;hydrochloride
SMILESCCCC(C)(N)C(=O)Nc1cccc(CN2C(=O)CNC2=O)c1.Cl
InChIInChI=1S/C16H22N4O3.ClH/c1-3-7-16(2,17)14(22)19-12-6-4-5-11(8-12)10-20-13(21)9-18-15(20)23;/h4-6,8H,3,7,9-10,17H2,1-2H3,(H,18,23)(H,19,22);1H
InChIKeyABUVUQDJJYEDBB-UHFFFAOYSA-N
MW354.84 g/mol
LogP1.62
Rot. Bonds6

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

2-amino-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-2-methylpentanamide;hydrochloride (PubChem CID 119722221) has the molecular formula C16H23ClN4O3 and a molecular weight of 354.84 g/mol. Its IUPAC name is 2-amino-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-2-methylpentanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-2-methylpentanamide;hydrochloride
PubChem CID119722221
Molecular FormulaC16H23ClN4O3
Molecular Weight354.84 g/mol
Exact Mass354.15
IUPAC Name2-amino-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-2-methylpentanamide;hydrochloride
SMILESCCCC(C)(N)C(=O)Nc1cccc(CN2C(=O)CNC2=O)c1.Cl
InChIInChI=1S/C16H22N4O3.ClH/c1-3-7-16(2,17)14(22)19-12-6-4-5-11(8-12)10-20-13(21)9-18-15(20)23;/h4-6,8H,3,7,9-10,17H2,1-2H3,(H,18,23)(H,19,22);1H
InChIKeyABUVUQDJJYEDBB-UHFFFAOYSA-N
XLogP1.62
TPSA104.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.84
LogP ≤ 51.62
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
(2S)-2-amino-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-3-methylbutanamide;hydrochloride
CID 119288695
1-[[3-[(2-amino-2-methylpentanoyl)amino]phenyl]methyl]pyrrolidine-2-carboxamide
CID 119856274
2-amino-2-methyl-N-[3-(propan-2-ylsulfonylmethyl)phenyl]pentanamide
CID 119784272
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
2-amino-N-(3-bromophenyl)-2-methylpentanamide
CID 60847337
N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-2-(2-ethylphenoxy)acetamide
CID 55617362
2-amino-N-[3-(benzenesulfinylmethyl)phenyl]-2-methylpentanamide
CID 119789921
2-[(4-chlorophenyl)methylsulfanyl]-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]acetamide
CID 55617218
N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]pyrrolidine-2-carboxamide
CID 119288678
1-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea
CID 48806971

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-2-methylpentanamide;hydrochloride?
The IUPAC name of 2-amino-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-2-methylpentanamide;hydrochloride (CID 119722221) is 2-amino-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-2-methylpentanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-2-methylpentanamide;hydrochloride?
The canonical SMILES for 2-amino-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-2-methylpentanamide;hydrochloride is CCCC(C)(N)C(=O)Nc1cccc(CN2C(=O)CNC2=O)c1.Cl.
What is the InChIKey of 2-amino-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-2-methylpentanamide;hydrochloride?
The InChIKey is ABUVUQDJJYEDBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O3.ClH/c1-3-7-16(2,17)14(22)19-12-6-4-5-11(8-12)10-20-13(21)9-18-15(20)23;/h4-6,8H,3,7,9-10,17H2,1-2H3,(H,18,23)(H,19,22);1H.
What are the key properties of 2-amino-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-2-methylpentanamide;hydrochloride?
2-amino-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-2-methylpentanamide;hydrochloride has a molecular weight of 354.84 g/mol, XLogP of 1.62, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-2-methylpentanamide;hydrochloride is sourced from PubChem (CID 119722221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).