2-[[5-(diethylamino)pentan-2-ylamino]methyl]benzamide

C17H29N3O — CID 43199220

IUPAC2-[[5-(diethylamino)pentan-2-ylamino]methyl]benzamide
SMILESCCN(CC)CCCC(C)NCc1ccccc1C(N)=O
InChIInChI=1S/C17H29N3O/c1-4-20(5-2)12-8-9-14(3)19-13-15-10-6-7-11-16(15)17(18)21/h6-7,10-11,14,19H,4-5,8-9,12-13H2,1-3H3,(H2,18,21)
InChIKeyGKAPFAKUMXIWBZ-UHFFFAOYSA-N
MW291.44 g/mol
LogP2.39
Rot. Bonds10

About 2-[[5-(diethylamino)pentan-2-ylamino]methyl]benzamide

2-[[5-(diethylamino)pentan-2-ylamino]methyl]benzamide (PubChem CID 43199220) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is 2-[[5-(diethylamino)pentan-2-ylamino]methyl]benzamide.

Molecular Properties

Compound Name2-[[5-(diethylamino)pentan-2-ylamino]methyl]benzamide
PubChem CID43199220
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC Name2-[[5-(diethylamino)pentan-2-ylamino]methyl]benzamide
SMILESCCN(CC)CCCC(C)NCc1ccccc1C(N)=O
InChIInChI=1S/C17H29N3O/c1-4-20(5-2)12-8-9-14(3)19-13-15-10-6-7-11-16(15)17(18)21/h6-7,10-11,14,19H,4-5,8-9,12-13H2,1-3H3,(H2,18,21)
InChIKeyGKAPFAKUMXIWBZ-UHFFFAOYSA-N
XLogP2.39
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[3-(diethylamino)propylamino]-2-oxoethyl]benzamide
CID 69088444
2-[[5-(diethylamino)pentan-2-ylamino]methyl]benzonitrile
CID 43179853
2-amino-3-[5-(diethylamino)pentan-2-ylamino]benzamide
CID 115544390
N-[5-(diethylamino)pentan-2-yl]-2-(2-hydroxyphenyl)acetamide
CID 78916581
2-[(1-methylsulfonylpropan-2-ylamino)methyl]benzamide
CID 64629794
2-[5-[[5-(diethylamino)pentan-2-ylamino]methyl]thiophen-2-yl]acetic acid
CID 82886272
4-N-(1,3-benzodioxol-4-ylmethyl)-1-N,1-N-diethylpentane-1,4-diamine
CID 43583442
2-[[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]methyl]benzamide
CID 79248915
2-[(heptan-2-ylamino)methyl]-N'-hydroxybenzenecarboximidamide
CID 77031931
[5-[[5-(diethylamino)pentan-2-ylamino]methyl]furan-2-yl]methanol
CID 64578392
1-N,1-N-diethyl-4-N-(pyren-1-ylmethyl)pentane-1,4-diamine
CID 14762977
5-[[5-(diethylamino)pentan-2-ylamino]methyl]thiophene-2-carboxylic acid
CID 103233758

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(diethylamino)pentan-2-ylamino]methyl]benzamide?
The IUPAC name of 2-[[5-(diethylamino)pentan-2-ylamino]methyl]benzamide (CID 43199220) is 2-[[5-(diethylamino)pentan-2-ylamino]methyl]benzamide.
What is the SMILES notation for 2-[[5-(diethylamino)pentan-2-ylamino]methyl]benzamide?
The canonical SMILES for 2-[[5-(diethylamino)pentan-2-ylamino]methyl]benzamide is CCN(CC)CCCC(C)NCc1ccccc1C(N)=O.
What is the InChIKey of 2-[[5-(diethylamino)pentan-2-ylamino]methyl]benzamide?
The InChIKey is GKAPFAKUMXIWBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-4-20(5-2)12-8-9-14(3)19-13-15-10-6-7-11-16(15)17(18)21/h6-7,10-11,14,19H,4-5,8-9,12-13H2,1-3H3,(H2,18,21).
What are the key properties of 2-[[5-(diethylamino)pentan-2-ylamino]methyl]benzamide?
2-[[5-(diethylamino)pentan-2-ylamino]methyl]benzamide has a molecular weight of 291.44 g/mol, XLogP of 2.39, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(diethylamino)pentan-2-ylamino]methyl]benzamide is sourced from PubChem (CID 43199220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).