N-(2-aminoethyl)-N'-benzyl-N'-propyloxamide

C14H21N3O2 — CID 43587245

IUPACN-(2-aminoethyl)-N'-benzyl-N'-propyloxamide
SMILESCCCN(Cc1ccccc1)C(=O)C(=O)NCCN
InChIInChI=1S/C14H21N3O2/c1-2-10-17(11-12-6-4-3-5-7-12)14(19)13(18)16-9-8-15/h3-7H,2,8-11,15H2,1H3,(H,16,18)
InChIKeyOLCHNAFXPUEDGG-UHFFFAOYSA-N
MW263.34 g/mol
LogP0.50
Rot. Bonds6

About N-(2-aminoethyl)-N'-benzyl-N'-propyloxamide

N-(2-aminoethyl)-N'-benzyl-N'-propyloxamide (PubChem CID 43587245) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is N-(2-aminoethyl)-N'-benzyl-N'-propyloxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-N'-benzyl-N'-propyloxamide
PubChem CID43587245
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC NameN-(2-aminoethyl)-N'-benzyl-N'-propyloxamide
SMILESCCCN(Cc1ccccc1)C(=O)C(=O)NCCN
InChIInChI=1S/C14H21N3O2/c1-2-10-17(11-12-6-4-3-5-7-12)14(19)13(18)16-9-8-15/h3-7H,2,8-11,15H2,1H3,(H,16,18)
InChIKeyOLCHNAFXPUEDGG-UHFFFAOYSA-N
XLogP0.50
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-aminoethyl)-N'-benzyl-N'-propan-2-yloxamide
CID 43316028
N'-benzyl-N-ethyl-N'-(2-hydroxyethyl)oxamide
CID 108521418
4-amino-N-benzyl-N-propylbutanamide
CID 43588666
N'-benzyl-N'-(2-hydroxyethyl)-N-(2-phenylethyl)oxamide
CID 108505831
N'-benzyl-N-[3-(dimethylamino)propyl]-N'-(2-hydroxyethyl)oxamide
CID 108523741
N-benzyl-N-ethyl-N',N'-dipropylpropanediamide
CID 108947326
N',N'-dibenzyl-N-(2-methylpropyl)oxamide
CID 108504849
N-benzyl-2-(methylamino)-N-propylacetamide
CID 43401552
1-benzyl-3-phenyl-1-propylurea
CID 78786424
N-(2-aminoethyl)-N'-(cyclopropylmethyl)-N'-propyloxamide
CID 43587286
3-N-benzyl-1-N,3-N-dipropylbenzene-1,3,5-tricarboxamide
CID 91500084
2-amino-N-benzyl-2-methyl-N-propylbutanamide
CID 79797442

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-N'-benzyl-N'-propyloxamide?
The IUPAC name of N-(2-aminoethyl)-N'-benzyl-N'-propyloxamide (CID 43587245) is N-(2-aminoethyl)-N'-benzyl-N'-propyloxamide.
What is the SMILES notation for N-(2-aminoethyl)-N'-benzyl-N'-propyloxamide?
The canonical SMILES for N-(2-aminoethyl)-N'-benzyl-N'-propyloxamide is CCCN(Cc1ccccc1)C(=O)C(=O)NCCN.
What is the InChIKey of N-(2-aminoethyl)-N'-benzyl-N'-propyloxamide?
The InChIKey is OLCHNAFXPUEDGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-2-10-17(11-12-6-4-3-5-7-12)14(19)13(18)16-9-8-15/h3-7H,2,8-11,15H2,1H3,(H,16,18).
What are the key properties of N-(2-aminoethyl)-N'-benzyl-N'-propyloxamide?
N-(2-aminoethyl)-N'-benzyl-N'-propyloxamide has a molecular weight of 263.34 g/mol, XLogP of 0.50, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-N'-benzyl-N'-propyloxamide is sourced from PubChem (CID 43587245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).