4-(dimethylamino)-N-[3-(dimethylamino)propyl]benzamide

C14H23N3O — CID 3978888

IUPAC4-(dimethylamino)-N-[3-(dimethylamino)propyl]benzamide
SMILESCN(C)CCCNC(=O)c1ccc(N(C)C)cc1
InChIInChI=1S/C14H23N3O/c1-16(2)11-5-10-15-14(18)12-6-8-13(9-7-12)17(3)4/h6-9H,5,10-11H2,1-4H3,(H,15,18)
InChIKeyMLHNBZURMBFIKV-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.43
Rot. Bonds6

About 4-(dimethylamino)-N-[3-(dimethylamino)propyl]benzamide

4-(dimethylamino)-N-[3-(dimethylamino)propyl]benzamide (PubChem CID 3978888) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 4-(dimethylamino)-N-[3-(dimethylamino)propyl]benzamide.

Molecular Properties

Compound Name4-(dimethylamino)-N-[3-(dimethylamino)propyl]benzamide
PubChem CID3978888
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name4-(dimethylamino)-N-[3-(dimethylamino)propyl]benzamide
SMILESCN(C)CCCNC(=O)c1ccc(N(C)C)cc1
InChIInChI=1S/C14H23N3O/c1-16(2)11-5-10-15-14(18)12-6-8-13(9-7-12)17(3)4/h6-9H,5,10-11H2,1-4H3,(H,15,18)
InChIKeyMLHNBZURMBFIKV-UHFFFAOYSA-N
XLogP1.43
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[3-(dimethylamino)propylcarbamoyl]benzoic acid;hydrochloride
CID 163333032
N-[3-(dimethylamino)propyl]-4-fluorobenzamide
CID 2249894
4-(dimethylamino)-N-pentylbenzamide
CID 21064504
4-tert-butyl-N-[3-(dimethylamino)propyl]benzamide
CID 4156706
4-[[4-(dimethylamino)benzoyl]amino]butanoic acid
CID 10658325
4-(dimethylamino)-N-heptylbenzamide
CID 86046283
N-[3-(dimethylamino)propyl]-4-(4-methylphenyl)benzamide
CID 162362191
4-(dimethylamino)-N-(4-hydroxypentyl)benzamide
CID 107329726
N-(2-benzamidoethyl)-4-(dimethylamino)benzamide
CID 38175898
N-[3-(dimethylamino)propyl]pyridine-4-carboxamide;hydrochloride
CID 110755338
N-[2-(diethylamino)ethyl]-4-(dimethylamino)benzamide
CID 47101000
N-[3-(dimethylamino)propyl]-4-(2-methylpropyl)benzamide
CID 110761239

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-N-[3-(dimethylamino)propyl]benzamide?
The IUPAC name of 4-(dimethylamino)-N-[3-(dimethylamino)propyl]benzamide (CID 3978888) is 4-(dimethylamino)-N-[3-(dimethylamino)propyl]benzamide.
What is the SMILES notation for 4-(dimethylamino)-N-[3-(dimethylamino)propyl]benzamide?
The canonical SMILES for 4-(dimethylamino)-N-[3-(dimethylamino)propyl]benzamide is CN(C)CCCNC(=O)c1ccc(N(C)C)cc1.
What is the InChIKey of 4-(dimethylamino)-N-[3-(dimethylamino)propyl]benzamide?
The InChIKey is MLHNBZURMBFIKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-16(2)11-5-10-15-14(18)12-6-8-13(9-7-12)17(3)4/h6-9H,5,10-11H2,1-4H3,(H,15,18).
What are the key properties of 4-(dimethylamino)-N-[3-(dimethylamino)propyl]benzamide?
4-(dimethylamino)-N-[3-(dimethylamino)propyl]benzamide has a molecular weight of 249.36 g/mol, XLogP of 1.43, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-N-[3-(dimethylamino)propyl]benzamide is sourced from PubChem (CID 3978888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).