N-(1-amino-2,4-dimethylpentan-2-yl)-4-(2,5-dioxoimidazolidin-1-yl)butanamide;hydrochloride

C14H27ClN4O3 — CID 119597382

IUPACN-(1-amino-2,4-dimethylpentan-2-yl)-4-(2,5-dioxoimidazolidin-1-yl)butanamide;hydrochloride
SMILESCC(C)CC(C)(CN)NC(=O)CCCN1C(=O)CNC1=O.Cl
InChIInChI=1S/C14H26N4O3.ClH/c1-10(2)7-14(3,9-15)17-11(19)5-4-6-18-12(20)8-16-13(18)21;/h10H,4-9,15H2,1-3H3,(H,16,21)(H,17,19);1H
InChIKeyQQWGTCJNNODEEP-UHFFFAOYSA-N
MW334.85 g/mol
LogP0.62
Rot. Bonds8

About N-(1-amino-2,4-dimethylpentan-2-yl)-4-(2,5-dioxoimidazolidin-1-yl)butanamide;hydrochloride

N-(1-amino-2,4-dimethylpentan-2-yl)-4-(2,5-dioxoimidazolidin-1-yl)butanamide;hydrochloride (PubChem CID 119597382) has the molecular formula C14H27ClN4O3 and a molecular weight of 334.85 g/mol. Its IUPAC name is N-(1-amino-2,4-dimethylpentan-2-yl)-4-(2,5-dioxoimidazolidin-1-yl)butanamide;hydrochloride.

Molecular Properties

Compound NameN-(1-amino-2,4-dimethylpentan-2-yl)-4-(2,5-dioxoimidazolidin-1-yl)butanamide;hydrochloride
PubChem CID119597382
Molecular FormulaC14H27ClN4O3
Molecular Weight334.85 g/mol
Exact Mass334.18
IUPAC NameN-(1-amino-2,4-dimethylpentan-2-yl)-4-(2,5-dioxoimidazolidin-1-yl)butanamide;hydrochloride
SMILESCC(C)CC(C)(CN)NC(=O)CCCN1C(=O)CNC1=O.Cl
InChIInChI=1S/C14H26N4O3.ClH/c1-10(2)7-14(3,9-15)17-11(19)5-4-6-18-12(20)8-16-13(18)21;/h10H,4-9,15H2,1-3H3,(H,16,21)(H,17,19);1H
InChIKeyQQWGTCJNNODEEP-UHFFFAOYSA-N
XLogP0.62
TPSA104.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.85
LogP ≤ 50.62
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

N-(1-amino-2,4-dimethylpentan-2-yl)-4-methylsulfanylbutanamide;hydrochloride
CID 119600356
(2R)-2-[4-(2,5-dioxoimidazolidin-1-yl)butanoylamino]-3-methylbutanoic acid
CID 119369325
N-(1-amino-2,4-dimethylpentan-2-yl)heptanamide
CID 115737471
N-(2-amino-2-ethylbutyl)-4-(2,5-dioxoimidazolidin-1-yl)butanamide
CID 119639591
(2S)-2-amino-N-[3-(2,5-dioxoimidazolidin-1-yl)propyl]-4-methylpentanamide;hydrochloride
CID 119779521
N-(1-amino-2,4-dimethylpentan-2-yl)-4-pyrrolidin-1-ylsulfonylbutanamide;hydrochloride
CID 119597434
N-(1-amino-2,4-dimethylpentan-2-yl)-3-(1,3-dioxo-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindol-2-yl)propanamide
CID 119599234
N-(1-amino-2,4-dimethylpentan-2-yl)-N',N'-diethylpentanediamide;hydrochloride
CID 119598032
N-(1-amino-2,4-dimethylpentan-2-yl)-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide;hydrochloride
CID 119599384
N-(1-amino-2,4-dimethylpentan-2-yl)-5-(carbamoylamino)pentanamide
CID 119599057
N-(1-amino-2,4-dimethylpentan-2-yl)-2-(2-oxopyrrolidin-1-yl)acetamide
CID 81486507
N-(1-amino-2,4-dimethylpentan-2-yl)-5-(4-methoxyphenyl)-5-oxopentanamide
CID 119598588

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,4-dimethylpentan-2-yl)-4-(2,5-dioxoimidazolidin-1-yl)butanamide;hydrochloride?
The IUPAC name of N-(1-amino-2,4-dimethylpentan-2-yl)-4-(2,5-dioxoimidazolidin-1-yl)butanamide;hydrochloride (CID 119597382) is N-(1-amino-2,4-dimethylpentan-2-yl)-4-(2,5-dioxoimidazolidin-1-yl)butanamide;hydrochloride.
What is the SMILES notation for N-(1-amino-2,4-dimethylpentan-2-yl)-4-(2,5-dioxoimidazolidin-1-yl)butanamide;hydrochloride?
The canonical SMILES for N-(1-amino-2,4-dimethylpentan-2-yl)-4-(2,5-dioxoimidazolidin-1-yl)butanamide;hydrochloride is CC(C)CC(C)(CN)NC(=O)CCCN1C(=O)CNC1=O.Cl.
What is the InChIKey of N-(1-amino-2,4-dimethylpentan-2-yl)-4-(2,5-dioxoimidazolidin-1-yl)butanamide;hydrochloride?
The InChIKey is QQWGTCJNNODEEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O3.ClH/c1-10(2)7-14(3,9-15)17-11(19)5-4-6-18-12(20)8-16-13(18)21;/h10H,4-9,15H2,1-3H3,(H,16,21)(H,17,19);1H.
What are the key properties of N-(1-amino-2,4-dimethylpentan-2-yl)-4-(2,5-dioxoimidazolidin-1-yl)butanamide;hydrochloride?
N-(1-amino-2,4-dimethylpentan-2-yl)-4-(2,5-dioxoimidazolidin-1-yl)butanamide;hydrochloride has a molecular weight of 334.85 g/mol, XLogP of 0.62, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2,4-dimethylpentan-2-yl)-4-(2,5-dioxoimidazolidin-1-yl)butanamide;hydrochloride is sourced from PubChem (CID 119597382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).