N-(3-aminobutyl)-4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)butanamide;hydrochloride

C13H25ClN4O3 — CID 119498732

IUPACN-(3-aminobutyl)-4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)butanamide;hydrochloride
SMILESCC(N)CCNC(=O)CCCN1C(=O)NC(C)(C)C1=O.Cl
InChIInChI=1S/C13H24N4O3.ClH/c1-9(14)6-7-15-10(18)5-4-8-17-11(19)13(2,3)16-12(17)20;/h9H,4-8,14H2,1-3H3,(H,15,18)(H,16,20);1H
InChIKeyYCQKZJDCCBDMGI-UHFFFAOYSA-N
MW320.82 g/mol
LogP0.37
Rot. Bonds7

About N-(3-aminobutyl)-4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)butanamide;hydrochloride

N-(3-aminobutyl)-4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)butanamide;hydrochloride (PubChem CID 119498732) has the molecular formula C13H25ClN4O3 and a molecular weight of 320.82 g/mol. Its IUPAC name is N-(3-aminobutyl)-4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)butanamide;hydrochloride.

Molecular Properties

Compound NameN-(3-aminobutyl)-4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)butanamide;hydrochloride
PubChem CID119498732
Molecular FormulaC13H25ClN4O3
Molecular Weight320.82 g/mol
Exact Mass320.16
IUPAC NameN-(3-aminobutyl)-4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)butanamide;hydrochloride
SMILESCC(N)CCNC(=O)CCCN1C(=O)NC(C)(C)C1=O.Cl
InChIInChI=1S/C13H24N4O3.ClH/c1-9(14)6-7-15-10(18)5-4-8-17-11(19)13(2,3)16-12(17)20;/h9H,4-8,14H2,1-3H3,(H,15,18)(H,16,20);1H
InChIKeyYCQKZJDCCBDMGI-UHFFFAOYSA-N
XLogP0.37
TPSA104.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.82
LogP ≤ 50.37
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

4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(2-phenoxyethyl)butanamide
CID 18111139
N-(3-aminobutyl)-4-(1,3-dioxobenzo[de]isoquinolin-2-yl)butanamide;hydrochloride
CID 119495415
4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[1-(4-fluorophenyl)ethyl]butanamide
CID 18111423
4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(piperidin-3-ylmethyl)butanamide;hydrochloride
CID 119463677
4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(1-phenylcyclopentyl)methyl]butanamide
CID 18128280
4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]butanamide
CID 24515994
5-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)pentanoic acid
CID 28971868
N-[2-(diethylamino)-3-phenylpropyl]-4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)butanamide
CID 43067548
3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-methylpropanamide
CID 60656567
4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(2,4,6-trimethylphenyl)butanamide
CID 78788881
(2S)-2-[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanoylamino]propanoic acid
CID 93263187
4-amino-N-[4-(1,3-dioxoisoindol-2-yl)butyl]pentanamide
CID 120562654

Frequently Asked Questions

What is the IUPAC name of N-(3-aminobutyl)-4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)butanamide;hydrochloride?
The IUPAC name of N-(3-aminobutyl)-4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)butanamide;hydrochloride (CID 119498732) is N-(3-aminobutyl)-4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)butanamide;hydrochloride.
What is the SMILES notation for N-(3-aminobutyl)-4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)butanamide;hydrochloride?
The canonical SMILES for N-(3-aminobutyl)-4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)butanamide;hydrochloride is CC(N)CCNC(=O)CCCN1C(=O)NC(C)(C)C1=O.Cl.
What is the InChIKey of N-(3-aminobutyl)-4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)butanamide;hydrochloride?
The InChIKey is YCQKZJDCCBDMGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O3.ClH/c1-9(14)6-7-15-10(18)5-4-8-17-11(19)13(2,3)16-12(17)20;/h9H,4-8,14H2,1-3H3,(H,15,18)(H,16,20);1H.
What are the key properties of N-(3-aminobutyl)-4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)butanamide;hydrochloride?
N-(3-aminobutyl)-4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)butanamide;hydrochloride has a molecular weight of 320.82 g/mol, XLogP of 0.37, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminobutyl)-4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)butanamide;hydrochloride is sourced from PubChem (CID 119498732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).