N-benzyl-N-ethyl-N',N'-dipropylpropanediamide

C18H28N2O2 — CID 108947326

IUPACN-benzyl-N-ethyl-N',N'-dipropylpropanediamide
SMILESCCCN(CCC)C(=O)CC(=O)N(CC)Cc1ccccc1
InChIInChI=1S/C18H28N2O2/c1-4-12-20(13-5-2)18(22)14-17(21)19(6-3)15-16-10-8-7-9-11-16/h7-11H,4-6,12-15H2,1-3H3
InChIKeyNTIIUNSJZRCIBB-UHFFFAOYSA-N
MW304.43 g/mol
LogP3.07
Rot. Bonds9

About N-benzyl-N-ethyl-N',N'-dipropylpropanediamide

N-benzyl-N-ethyl-N',N'-dipropylpropanediamide (PubChem CID 108947326) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is N-benzyl-N-ethyl-N',N'-dipropylpropanediamide.

Molecular Properties

Compound NameN-benzyl-N-ethyl-N',N'-dipropylpropanediamide
PubChem CID108947326
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC NameN-benzyl-N-ethyl-N',N'-dipropylpropanediamide
SMILESCCCN(CCC)C(=O)CC(=O)N(CC)Cc1ccccc1
InChIInChI=1S/C18H28N2O2/c1-4-12-20(13-5-2)18(22)14-17(21)19(6-3)15-16-10-8-7-9-11-16/h7-11H,4-6,12-15H2,1-3H3
InChIKeyNTIIUNSJZRCIBB-UHFFFAOYSA-N
XLogP3.07
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N,N'-dibenzyl-N,N'-diethylpropanediamide
CID 2392254
N-benzyl-2-(dipropylamino)-N-ethylacetamide
CID 108998990
N,N'-dibenzyl-N-ethyl-N'-phenylpropanediamide
CID 108947400
N-benzyl-2-(methylamino)-N-propylacetamide
CID 43401552
N-benzyl-N-ethyl-2-(propylamino)acetamide
CID 60687302
N,N'-dibenzyl-N,N'-diethylpentanediamide
CID 68902262
N'-benzyl-N'-ethyl-N-propan-2-ylpropanediamide
CID 108940808
N,N'-dibenzyl-N,N'-diethyloxamide
CID 3417048
N'-benzyl-N,N-diethyl-N'-phenylpropanediamide
CID 108951133
N-benzyl-2-ethoxy-N-propylacetamide
CID 60655890
1-benzyl-3-phenyl-1-propylurea
CID 78786424
1-N-benzyl-1-N-ethyl-4-N,4-N-dipropylcyclohexane-1,4-dicarboxamide
CID 109148640

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-ethyl-N',N'-dipropylpropanediamide?
The IUPAC name of N-benzyl-N-ethyl-N',N'-dipropylpropanediamide (CID 108947326) is N-benzyl-N-ethyl-N',N'-dipropylpropanediamide.
What is the SMILES notation for N-benzyl-N-ethyl-N',N'-dipropylpropanediamide?
The canonical SMILES for N-benzyl-N-ethyl-N',N'-dipropylpropanediamide is CCCN(CCC)C(=O)CC(=O)N(CC)Cc1ccccc1.
What is the InChIKey of N-benzyl-N-ethyl-N',N'-dipropylpropanediamide?
The InChIKey is NTIIUNSJZRCIBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-4-12-20(13-5-2)18(22)14-17(21)19(6-3)15-16-10-8-7-9-11-16/h7-11H,4-6,12-15H2,1-3H3.
What are the key properties of N-benzyl-N-ethyl-N',N'-dipropylpropanediamide?
N-benzyl-N-ethyl-N',N'-dipropylpropanediamide has a molecular weight of 304.43 g/mol, XLogP of 3.07, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-ethyl-N',N'-dipropylpropanediamide is sourced from PubChem (CID 108947326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).