N'-benzyl-N-[2-(dimethylamino)ethyl]butanediamide

C15H23N3O2 — CID 3296654

IUPACN'-benzyl-N-[2-(dimethylamino)ethyl]butanediamide
SMILESCN(C)CCNC(=O)CCC(=O)NCc1ccccc1
InChIInChI=1S/C15H23N3O2/c1-18(2)11-10-16-14(19)8-9-15(20)17-12-13-6-4-3-5-7-13/h3-7H,8-12H2,1-2H3,(H,16,19)(H,17,20)
InChIKeyBOPVTAYTDVIDDG-UHFFFAOYSA-N
MW277.37 g/mol
LogP0.76
Rot. Bonds8

About N'-benzyl-N-[2-(dimethylamino)ethyl]butanediamide

N'-benzyl-N-[2-(dimethylamino)ethyl]butanediamide (PubChem CID 3296654) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is N'-benzyl-N-[2-(dimethylamino)ethyl]butanediamide.

Molecular Properties

Compound NameN'-benzyl-N-[2-(dimethylamino)ethyl]butanediamide
PubChem CID3296654
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC NameN'-benzyl-N-[2-(dimethylamino)ethyl]butanediamide
SMILESCN(C)CCNC(=O)CCC(=O)NCc1ccccc1
InChIInChI=1S/C15H23N3O2/c1-18(2)11-10-16-14(19)8-9-15(20)17-12-13-6-4-3-5-7-13/h3-7H,8-12H2,1-2H3,(H,16,19)(H,17,20)
InChIKeyBOPVTAYTDVIDDG-UHFFFAOYSA-N
XLogP0.76
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(dimethylamino)ethyl]-3-(N-methylanilino)propanamide
CID 109016239
N-[2-(dimethylamino)ethyl]-N'-(thiophen-2-ylmethyl)butanediamide
CID 51362734
N-benzyl-2-[2-(dimethylamino)ethylsulfanyl]acetamide
CID 134064867
N'-benzylbutanediamide
CID 4682951
2-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]benzoic acid
CID 104601328
2-(N-benzylanilino)-N-[2-(dimethylamino)ethyl]acetamide
CID 108994706
N-benzyl-N'-[(4-fluorophenyl)methyl]butanediamide
CID 91939014
N'-benzyl-N-propylpropanediamide
CID 108940601
N-[2-(dimethylamino)ethyl]-3,3-diphenylpropanamide
CID 2184828
3-[(2-aminoacetyl)amino]-N-benzylpropanamide;hydrochloride
CID 119310950
N-[2-(dimethylamino)ethyl]-2-(N-methylanilino)acetamide
CID 108994641
N-benzyl-3-chloropropanamide
CID 10391

Frequently Asked Questions

What is the IUPAC name of N'-benzyl-N-[2-(dimethylamino)ethyl]butanediamide?
The IUPAC name of N'-benzyl-N-[2-(dimethylamino)ethyl]butanediamide (CID 3296654) is N'-benzyl-N-[2-(dimethylamino)ethyl]butanediamide.
What is the SMILES notation for N'-benzyl-N-[2-(dimethylamino)ethyl]butanediamide?
The canonical SMILES for N'-benzyl-N-[2-(dimethylamino)ethyl]butanediamide is CN(C)CCNC(=O)CCC(=O)NCc1ccccc1.
What is the InChIKey of N'-benzyl-N-[2-(dimethylamino)ethyl]butanediamide?
The InChIKey is BOPVTAYTDVIDDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-18(2)11-10-16-14(19)8-9-15(20)17-12-13-6-4-3-5-7-13/h3-7H,8-12H2,1-2H3,(H,16,19)(H,17,20).
What are the key properties of N'-benzyl-N-[2-(dimethylamino)ethyl]butanediamide?
N'-benzyl-N-[2-(dimethylamino)ethyl]butanediamide has a molecular weight of 277.37 g/mol, XLogP of 0.76, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzyl-N-[2-(dimethylamino)ethyl]butanediamide is sourced from PubChem (CID 3296654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).