N-(3-aminopropyl)-4-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzamide;hydrochloride

C14H19ClN4O3 — CID 119405592

IUPACN-(3-aminopropyl)-4-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzamide;hydrochloride
SMILESCC1(c2ccc(C(=O)NCCCN)cc2)NC(=O)NC1=O.Cl
InChIInChI=1S/C14H18N4O3.ClH/c1-14(12(20)17-13(21)18-14)10-5-3-9(4-6-10)11(19)16-8-2-7-15;/h3-6H,2,7-8,15H2,1H3,(H,16,19)(H2,17,18,20,21);1H
InChIKeyNUWHPCDWQAOKJQ-UHFFFAOYSA-N
MW326.78 g/mol
LogP0.24
Rot. Bonds5

About N-(3-aminopropyl)-4-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzamide;hydrochloride

N-(3-aminopropyl)-4-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzamide;hydrochloride (PubChem CID 119405592) has the molecular formula C14H19ClN4O3 and a molecular weight of 326.78 g/mol. Its IUPAC name is N-(3-aminopropyl)-4-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzamide;hydrochloride.

Molecular Properties

Compound NameN-(3-aminopropyl)-4-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzamide;hydrochloride
PubChem CID119405592
Molecular FormulaC14H19ClN4O3
Molecular Weight326.78 g/mol
Exact Mass326.11
IUPAC NameN-(3-aminopropyl)-4-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzamide;hydrochloride
SMILESCC1(c2ccc(C(=O)NCCCN)cc2)NC(=O)NC1=O.Cl
InChIInChI=1S/C14H18N4O3.ClH/c1-14(12(20)17-13(21)18-14)10-5-3-9(4-6-10)11(19)16-8-2-7-15;/h3-6H,2,7-8,15H2,1H3,(H,16,19)(H2,17,18,20,21);1H
InChIKeyNUWHPCDWQAOKJQ-UHFFFAOYSA-N
XLogP0.24
TPSA113.32 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.78
LogP ≤ 50.24
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[[4-[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]benzoyl]amino]butanoic acid
CID 129467405
4-(4-methyl-2,5-dioxoimidazolidin-4-yl)-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119534260
4-[[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzoyl]amino]butanoic acid
CID 120513436
7-[[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzoyl]amino]heptanoic acid
CID 120524062
4-N-(3-aminopropyl)benzene-1,4-dicarboxamide
CID 11053215
(2S)-4-methyl-2-[[4-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzoyl]amino]pentanoic acid
CID 119360981
(5S)-5-(4-tert-butylphenyl)-5-methylimidazolidine-2,4-dione
CID 2387110
N-(3-aminopropyl)-4-(2-methoxyethoxy)benzamide;hydrochloride
CID 119406862
1-N,4-N-bis(2-aminoethyl)benzene-1,4-dicarboxamide
CID 58098446
3-(4-methyl-2,5-dioxoimidazolidin-4-yl)-N-(oxolan-2-ylmethyl)benzamide
CID 138044244
N-[[4-(3-aminopropylcarbamoyl)phenyl]methyl]-4-methylbenzamide
CID 82097442
2-methyl-4-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzoic acid
CID 134494418

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-4-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzamide;hydrochloride?
The IUPAC name of N-(3-aminopropyl)-4-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzamide;hydrochloride (CID 119405592) is N-(3-aminopropyl)-4-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzamide;hydrochloride.
What is the SMILES notation for N-(3-aminopropyl)-4-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzamide;hydrochloride?
The canonical SMILES for N-(3-aminopropyl)-4-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzamide;hydrochloride is CC1(c2ccc(C(=O)NCCCN)cc2)NC(=O)NC1=O.Cl.
What is the InChIKey of N-(3-aminopropyl)-4-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzamide;hydrochloride?
The InChIKey is NUWHPCDWQAOKJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O3.ClH/c1-14(12(20)17-13(21)18-14)10-5-3-9(4-6-10)11(19)16-8-2-7-15;/h3-6H,2,7-8,15H2,1H3,(H,16,19)(H2,17,18,20,21);1H.
What are the key properties of N-(3-aminopropyl)-4-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzamide;hydrochloride?
N-(3-aminopropyl)-4-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzamide;hydrochloride has a molecular weight of 326.78 g/mol, XLogP of 0.24, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-4-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzamide;hydrochloride is sourced from PubChem (CID 119405592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).