N-benzyl-N-[2-[3-(dibenzylamino)propylamino]ethyl]formamide

C27H33N3O — CID 143178304

IUPACN-benzyl-N-[2-[3-(dibenzylamino)propylamino]ethyl]formamide
SMILESO=CN(CCNCCCN(Cc1ccccc1)Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C27H33N3O/c31-24-30(23-27-15-8-3-9-16-27)20-18-28-17-10-19-29(21-25-11-4-1-5-12-25)22-26-13-6-2-7-14-26/h1-9,11-16,24,28H,10,17-23H2
InChIKeyZTOXOMSPVRMBCY-UHFFFAOYSA-N
MW415.58 g/mol
LogP4.33
Rot. Bonds14

About N-benzyl-N-[2-[3-(dibenzylamino)propylamino]ethyl]formamide

N-benzyl-N-[2-[3-(dibenzylamino)propylamino]ethyl]formamide (PubChem CID 143178304) has the molecular formula C27H33N3O and a molecular weight of 415.58 g/mol. Its IUPAC name is N-benzyl-N-[2-[3-(dibenzylamino)propylamino]ethyl]formamide.

Molecular Properties

Compound NameN-benzyl-N-[2-[3-(dibenzylamino)propylamino]ethyl]formamide
PubChem CID143178304
Molecular FormulaC27H33N3O
Molecular Weight415.58 g/mol
Exact Mass415.26
IUPAC NameN-benzyl-N-[2-[3-(dibenzylamino)propylamino]ethyl]formamide
SMILESO=CN(CCNCCCN(Cc1ccccc1)Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C27H33N3O/c31-24-30(23-27-15-8-3-9-16-27)20-18-28-17-10-19-29(21-25-11-4-1-5-12-25)22-26-13-6-2-7-14-26/h1-9,11-16,24,28H,10,17-23H2
InChIKeyZTOXOMSPVRMBCY-UHFFFAOYSA-N
XLogP4.33
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.58
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-[2-(dibenzylamino)ethylamino]ethyl]ethane-1,2-diamine
CID 138740161
N'-[2-[benzyl(ethenyl)amino]ethyl]ethane-1,2-diamine
CID 70389657
N,N,N',N'-tetrabenzylpentane-1,5-diamine
CID 134925977
N-benzyl-N-[8-(dimethylamino)octyl]formamide
CID 173398538
N'-benzyl-N-[2-(dimethylamino)ethyl]-N'-methylpropane-1,3-diamine
CID 28577551
N'-[2-[2-aminoethyl(benzyl)amino]ethyl]ethane-1,2-diamine
CID 101461919
N'-benzyl-N'-ethyl-N-pentylethane-1,2-diamine
CID 62574894
N'-benzyl-N-[2-[benzyl-[2-(benzylamino)ethyl]amino]ethyl]ethane-1,2-diamine
CID 69031173
N,N-dibenzyl-3-phenylpropan-1-amine
CID 3867567
2-amino-N-[3-(dibenzylamino)propyl]acetamide;dihydrochloride
CID 119897269
4-(dibenzylamino)butanehydrazide
CID 130159101
N,N-dibenzylformamide;N,N-diethylformamide;methane
CID 160532713

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[2-[3-(dibenzylamino)propylamino]ethyl]formamide?
The IUPAC name of N-benzyl-N-[2-[3-(dibenzylamino)propylamino]ethyl]formamide (CID 143178304) is N-benzyl-N-[2-[3-(dibenzylamino)propylamino]ethyl]formamide.
What is the SMILES notation for N-benzyl-N-[2-[3-(dibenzylamino)propylamino]ethyl]formamide?
The canonical SMILES for N-benzyl-N-[2-[3-(dibenzylamino)propylamino]ethyl]formamide is O=CN(CCNCCCN(Cc1ccccc1)Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of N-benzyl-N-[2-[3-(dibenzylamino)propylamino]ethyl]formamide?
The InChIKey is ZTOXOMSPVRMBCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N3O/c31-24-30(23-27-15-8-3-9-16-27)20-18-28-17-10-19-29(21-25-11-4-1-5-12-25)22-26-13-6-2-7-14-26/h1-9,11-16,24,28H,10,17-23H2.
What are the key properties of N-benzyl-N-[2-[3-(dibenzylamino)propylamino]ethyl]formamide?
N-benzyl-N-[2-[3-(dibenzylamino)propylamino]ethyl]formamide has a molecular weight of 415.58 g/mol, XLogP of 4.33, 14 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[2-[3-(dibenzylamino)propylamino]ethyl]formamide is sourced from PubChem (CID 143178304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).