N-(3-aminopropyl)-N-benzyl-2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)acetamide

C16H20N4O4 — CID 120648313

IUPACN-(3-aminopropyl)-N-benzyl-2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)acetamide
SMILESCN1C(=O)C(=O)N(CC(=O)N(CCCN)Cc2ccccc2)C1=O
InChIInChI=1S/C16H20N4O4/c1-18-14(22)15(23)20(16(18)24)11-13(21)19(9-5-8-17)10-12-6-3-2-4-7-12/h2-4,6-7H,5,8-11,17H2,1H3
InChIKeyRDEMCASVQOFHDL-UHFFFAOYSA-N
MW332.36 g/mol
LogP-0.22
Rot. Bonds7

About N-(3-aminopropyl)-N-benzyl-2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)acetamide

N-(3-aminopropyl)-N-benzyl-2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)acetamide (PubChem CID 120648313) has the molecular formula C16H20N4O4 and a molecular weight of 332.36 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-benzyl-2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-benzyl-2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)acetamide
PubChem CID120648313
Molecular FormulaC16H20N4O4
Molecular Weight332.36 g/mol
Exact Mass332.15
IUPAC NameN-(3-aminopropyl)-N-benzyl-2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)acetamide
SMILESCN1C(=O)C(=O)N(CC(=O)N(CCCN)Cc2ccccc2)C1=O
InChIInChI=1S/C16H20N4O4/c1-18-14(22)15(23)20(16(18)24)11-13(21)19(9-5-8-17)10-12-6-3-2-4-7-12/h2-4,6-7H,5,8-11,17H2,1H3
InChIKeyRDEMCASVQOFHDL-UHFFFAOYSA-N
XLogP-0.22
TPSA104.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 5-0.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(3-aminopropyl)-N-benzyl-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 120648461
2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)-N,N-bis(2-phenylethyl)acetamide
CID 2536296
N-(3-aminopropyl)-N-benzyl-2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetamide
CID 120649665
N-(3-aminopropyl)-N-benzyl-2-methylsulfanylacetamide
CID 107366128
N-benzyl-N-(2-phenylethyl)-2-(2,4,5-trioxo-3-propylimidazolidin-1-yl)acetamide
CID 8626273
N-(3-aminopropyl)-N-benzyl-2-tert-butylsulfanylacetamide
CID 107365756
N-(3-aminopropyl)-N-benzyl-2-(2-oxoazocan-1-yl)acetamide
CID 120648217
N-(3-aminopropyl)-N-benzyl-2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide;hydrochloride
CID 120648250
2-[2-[3-aminopropyl(benzyl)amino]-2-oxoethyl]sulfanylacetamide
CID 120649057
1-(3-aminopropyl)-1-benzyl-3,3-dimethylurea
CID 107366332
N-(3-aminopropyl)-N-benzyl-2-methylsulfonylacetamide
CID 107366137
N-(3-aminopropyl)-N-benzylhexanamide
CID 107366146

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N-benzyl-2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)acetamide?
The IUPAC name of N-(3-aminopropyl)-N-benzyl-2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)acetamide (CID 120648313) is N-(3-aminopropyl)-N-benzyl-2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)acetamide.
What is the SMILES notation for N-(3-aminopropyl)-N-benzyl-2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)acetamide?
The canonical SMILES for N-(3-aminopropyl)-N-benzyl-2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)acetamide is CN1C(=O)C(=O)N(CC(=O)N(CCCN)Cc2ccccc2)C1=O.
What is the InChIKey of N-(3-aminopropyl)-N-benzyl-2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)acetamide?
The InChIKey is RDEMCASVQOFHDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O4/c1-18-14(22)15(23)20(16(18)24)11-13(21)19(9-5-8-17)10-12-6-3-2-4-7-12/h2-4,6-7H,5,8-11,17H2,1H3.
What are the key properties of N-(3-aminopropyl)-N-benzyl-2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)acetamide?
N-(3-aminopropyl)-N-benzyl-2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)acetamide has a molecular weight of 332.36 g/mol, XLogP of -0.22, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-N-benzyl-2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)acetamide is sourced from PubChem (CID 120648313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).