N'-benzyl-N-[3-(diethylamino)propyl]-N'-methyloxamide

C17H27N3O2 — CID 108518765

IUPACN'-benzyl-N-[3-(diethylamino)propyl]-N'-methyloxamide
SMILESCCN(CC)CCCNC(=O)C(=O)N(C)Cc1ccccc1
InChIInChI=1S/C17H27N3O2/c1-4-20(5-2)13-9-12-18-16(21)17(22)19(3)14-15-10-7-6-8-11-15/h6-8,10-11H,4-5,9,12-14H2,1-3H3,(H,18,21)
InChIKeyYIIXSPMYFNSPCJ-UHFFFAOYSA-N
MW305.42 g/mol
LogP1.49
Rot. Bonds8

About N'-benzyl-N-[3-(diethylamino)propyl]-N'-methyloxamide

N'-benzyl-N-[3-(diethylamino)propyl]-N'-methyloxamide (PubChem CID 108518765) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is N'-benzyl-N-[3-(diethylamino)propyl]-N'-methyloxamide.

Molecular Properties

Compound NameN'-benzyl-N-[3-(diethylamino)propyl]-N'-methyloxamide
PubChem CID108518765
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC NameN'-benzyl-N-[3-(diethylamino)propyl]-N'-methyloxamide
SMILESCCN(CC)CCCNC(=O)C(=O)N(C)Cc1ccccc1
InChIInChI=1S/C17H27N3O2/c1-4-20(5-2)13-9-12-18-16(21)17(22)19(3)14-15-10-7-6-8-11-15/h6-8,10-11H,4-5,9,12-14H2,1-3H3,(H,18,21)
InChIKeyYIIXSPMYFNSPCJ-UHFFFAOYSA-N
XLogP1.49
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(diethylamino)propyl]-N'-methyl-N'-phenyloxamide
CID 108520921
N'-benzyl-N'-methyl-N-prop-2-enyloxamide
CID 108518780
N'-benzyl-N-[3-(dimethylamino)propyl]-N'-(2-hydroxyethyl)oxamide
CID 108523741
benzyl N-[3-(diethylamino)propyl]carbamate
CID 127503567
2-amino-N-[3-(diethylamino)propyl]-3-phenylpropanamide
CID 24696027
4-[[benzyl(methyl)carbamoyl]amino]butanoic acid
CID 28511357
N,N'-dibenzyl-N'-(2-hydroxyethyl)-N-methyloxamide
CID 108518757
N-[3-[benzyl(ethyl)amino]propyl]-3-pyrrol-1-ylpropanamide
CID 46343167
N-[3-(diethylamino)propyl]-N'-(pyridin-3-ylmethyl)oxamide
CID 108506711
1-[3-[benzyl(methyl)amino]propyl]-3-propylthiourea
CID 115573153
N-[3-(diethylamino)propyl]-2,2-diphenylpropanamide
CID 57179015
N-(2-aminoethyl)-N'-benzyl-N'-propyloxamide
CID 43587245

Frequently Asked Questions

What is the IUPAC name of N'-benzyl-N-[3-(diethylamino)propyl]-N'-methyloxamide?
The IUPAC name of N'-benzyl-N-[3-(diethylamino)propyl]-N'-methyloxamide (CID 108518765) is N'-benzyl-N-[3-(diethylamino)propyl]-N'-methyloxamide.
What is the SMILES notation for N'-benzyl-N-[3-(diethylamino)propyl]-N'-methyloxamide?
The canonical SMILES for N'-benzyl-N-[3-(diethylamino)propyl]-N'-methyloxamide is CCN(CC)CCCNC(=O)C(=O)N(C)Cc1ccccc1.
What is the InChIKey of N'-benzyl-N-[3-(diethylamino)propyl]-N'-methyloxamide?
The InChIKey is YIIXSPMYFNSPCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-4-20(5-2)13-9-12-18-16(21)17(22)19(3)14-15-10-7-6-8-11-15/h6-8,10-11H,4-5,9,12-14H2,1-3H3,(H,18,21).
What are the key properties of N'-benzyl-N-[3-(diethylamino)propyl]-N'-methyloxamide?
N'-benzyl-N-[3-(diethylamino)propyl]-N'-methyloxamide has a molecular weight of 305.42 g/mol, XLogP of 1.49, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzyl-N-[3-(diethylamino)propyl]-N'-methyloxamide is sourced from PubChem (CID 108518765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).