N-(3-aminobutyl)-4-(2-oxoimidazolidin-1-yl)benzamide

C14H20N4O2 — CID 119497450

IUPACN-(3-aminobutyl)-4-(2-oxoimidazolidin-1-yl)benzamide
SMILESCC(N)CCNC(=O)c1ccc(N2CCNC2=O)cc1
InChIInChI=1S/C14H20N4O2/c1-10(15)6-7-16-13(19)11-2-4-12(5-3-11)18-9-8-17-14(18)20/h2-5,10H,6-9,15H2,1H3,(H,16,19)(H,17,20)
InChIKeyIFZWBPRYWHXHML-UHFFFAOYSA-N
MW276.34 g/mol
LogP0.68
Rot. Bonds5

About N-(3-aminobutyl)-4-(2-oxoimidazolidin-1-yl)benzamide

N-(3-aminobutyl)-4-(2-oxoimidazolidin-1-yl)benzamide (PubChem CID 119497450) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is N-(3-aminobutyl)-4-(2-oxoimidazolidin-1-yl)benzamide.

Molecular Properties

Compound NameN-(3-aminobutyl)-4-(2-oxoimidazolidin-1-yl)benzamide
PubChem CID119497450
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC NameN-(3-aminobutyl)-4-(2-oxoimidazolidin-1-yl)benzamide
SMILESCC(N)CCNC(=O)c1ccc(N2CCNC2=O)cc1
InChIInChI=1S/C14H20N4O2/c1-10(15)6-7-16-13(19)11-2-4-12(5-3-11)18-9-8-17-14(18)20/h2-5,10H,6-9,15H2,1H3,(H,16,19)(H,17,20)
InChIKeyIFZWBPRYWHXHML-UHFFFAOYSA-N
XLogP0.68
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 50.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-aminobutyl)-4-(2-oxoimidazolidin-1-yl)benzamide?
The IUPAC name of N-(3-aminobutyl)-4-(2-oxoimidazolidin-1-yl)benzamide (CID 119497450) is N-(3-aminobutyl)-4-(2-oxoimidazolidin-1-yl)benzamide.
What is the SMILES notation for N-(3-aminobutyl)-4-(2-oxoimidazolidin-1-yl)benzamide?
The canonical SMILES for N-(3-aminobutyl)-4-(2-oxoimidazolidin-1-yl)benzamide is CC(N)CCNC(=O)c1ccc(N2CCNC2=O)cc1.
What is the InChIKey of N-(3-aminobutyl)-4-(2-oxoimidazolidin-1-yl)benzamide?
The InChIKey is IFZWBPRYWHXHML-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2/c1-10(15)6-7-16-13(19)11-2-4-12(5-3-11)18-9-8-17-14(18)20/h2-5,10H,6-9,15H2,1H3,(H,16,19)(H,17,20).
What are the key properties of N-(3-aminobutyl)-4-(2-oxoimidazolidin-1-yl)benzamide?
N-(3-aminobutyl)-4-(2-oxoimidazolidin-1-yl)benzamide has a molecular weight of 276.34 g/mol, XLogP of 0.68, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminobutyl)-4-(2-oxoimidazolidin-1-yl)benzamide is sourced from PubChem (CID 119497450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).