3-[3-(diethylamino)propyl]benzamide

C14H22N2O — CID 175291972

IUPAC3-[3-(diethylamino)propyl]benzamide
SMILESCCN(CC)CCCc1cccc(C(N)=O)c1
InChIInChI=1S/C14H22N2O/c1-3-16(4-2)10-6-8-12-7-5-9-13(11-12)14(15)17/h5,7,9,11H,3-4,6,8,10H2,1-2H3,(H2,15,17)
InChIKeyFIAFOTMJTIEHOP-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.06
Rot. Bonds7

About 3-[3-(diethylamino)propyl]benzamide

3-[3-(diethylamino)propyl]benzamide (PubChem CID 175291972) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 3-[3-(diethylamino)propyl]benzamide.

Molecular Properties

Compound Name3-[3-(diethylamino)propyl]benzamide
PubChem CID175291972
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name3-[3-(diethylamino)propyl]benzamide
SMILESCCN(CC)CCCc1cccc(C(N)=O)c1
InChIInChI=1S/C14H22N2O/c1-3-16(4-2)10-6-8-12-7-5-9-13(11-12)14(15)17/h5,7,9,11H,3-4,6,8,10H2,1-2H3,(H2,15,17)
InChIKeyFIAFOTMJTIEHOP-UHFFFAOYSA-N
XLogP2.06
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(dipropylamino)methyl]benzamide
CID 82041313
3-(12-amino-12-oxododecyl)benzamide
CID 19832819
3-[2-(diethylamino)ethylamino]benzamide
CID 107811316
3-[[(3-butanoylphenyl)methyl-ethylamino]methyl]benzamide;ethane;nonane
CID 142139143
3-(5-methoxy-4-oxopentyl)benzamide
CID 158062686
3-[[[2-(diethylamino)-2-oxoethyl]amino]methyl]benzamide
CID 112688808
3-[(dimethylamino)methyl]benzamide;hydrochloride
CID 68818367
methane;3-(3-oxopropyl)benzamide
CID 178062718
N,N-diethyl-3-phenylpropan-1-amine;hydrate
CID 172794416
3-(diethylamino)propyl 3-(carboxyoxymethyl)benzoate
CID 178081110
3-[[2-[ethyl(methyl)amino]ethylamino]methyl]benzamide
CID 55139292
3-(sulfanylmethyl)benzamide
CID 118350806

Frequently Asked Questions

What is the IUPAC name of 3-[3-(diethylamino)propyl]benzamide?
The IUPAC name of 3-[3-(diethylamino)propyl]benzamide (CID 175291972) is 3-[3-(diethylamino)propyl]benzamide.
What is the SMILES notation for 3-[3-(diethylamino)propyl]benzamide?
The canonical SMILES for 3-[3-(diethylamino)propyl]benzamide is CCN(CC)CCCc1cccc(C(N)=O)c1.
What is the InChIKey of 3-[3-(diethylamino)propyl]benzamide?
The InChIKey is FIAFOTMJTIEHOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-3-16(4-2)10-6-8-12-7-5-9-13(11-12)14(15)17/h5,7,9,11H,3-4,6,8,10H2,1-2H3,(H2,15,17).
What are the key properties of 3-[3-(diethylamino)propyl]benzamide?
3-[3-(diethylamino)propyl]benzamide has a molecular weight of 234.34 g/mol, XLogP of 2.06, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(diethylamino)propyl]benzamide is sourced from PubChem (CID 175291972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).