N-[3-(dimethylamino)propyl]-2,4,5-trimethylbenzamide

C15H24N2O — CID 95970652

IUPACN-[3-(dimethylamino)propyl]-2,4,5-trimethylbenzamide
SMILESCc1cc(C)c(C(=O)NCCCN(C)C)cc1C
InChIInChI=1S/C15H24N2O/c1-11-9-13(3)14(10-12(11)2)15(18)16-7-6-8-17(4)5/h9-10H,6-8H2,1-5H3,(H,16,18)
InChIKeyYNXGDSVEJDXSGU-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.29
Rot. Bonds5

About N-[3-(dimethylamino)propyl]-2,4,5-trimethylbenzamide

N-[3-(dimethylamino)propyl]-2,4,5-trimethylbenzamide (PubChem CID 95970652) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-2,4,5-trimethylbenzamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-2,4,5-trimethylbenzamide
PubChem CID95970652
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC NameN-[3-(dimethylamino)propyl]-2,4,5-trimethylbenzamide
SMILESCc1cc(C)c(C(=O)NCCCN(C)C)cc1C
InChIInChI=1S/C15H24N2O/c1-11-9-13(3)14(10-12(11)2)15(18)16-7-6-8-17(4)5/h9-10H,6-8H2,1-5H3,(H,16,18)
InChIKeyYNXGDSVEJDXSGU-UHFFFAOYSA-N
XLogP2.29
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(dimethylamino)propyl]-2-methyl-5-sulfanylbenzamide
CID 107021313
N-[3-(dimethylamino)propyl]-2,4-dimethylbenzamide
CID 19656256
N-[3-(dimethylamino)propyl]-4-hydroxy-2-methylbenzamide
CID 103863454
2,4,5-trimethyl-N-(3-propan-2-yloxypropyl)benzamide
CID 100709096
2,4,5-trimethyl-N-[2-(N-methylanilino)ethyl]benzamide
CID 100710814
5-amino-N-(3-hydroxypropyl)-2,4-dimethylbenzamide
CID 102704987
N-[3-(dimethylamino)propyl]-4-(4-methylphenyl)benzamide
CID 162362191
N-butyl-4,5-dimethoxy-2-methylbenzamide
CID 110763563
N-[3-(dimethylamino)propyl]-5-methyl-2-(propylamino)benzamide
CID 62510706
N-[3-(dimethylamino)propyl]-4-hydrazinyl-6-methylpyridine-3-carboxamide
CID 81256000
4-tert-butyl-N-[3-(dimethylamino)propyl]benzamide
CID 4156706
N-[3-(dimethylamino)propyl]-4-fluorobenzamide
CID 2249894

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-2,4,5-trimethylbenzamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-2,4,5-trimethylbenzamide (CID 95970652) is N-[3-(dimethylamino)propyl]-2,4,5-trimethylbenzamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-2,4,5-trimethylbenzamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-2,4,5-trimethylbenzamide is Cc1cc(C)c(C(=O)NCCCN(C)C)cc1C.
What is the InChIKey of N-[3-(dimethylamino)propyl]-2,4,5-trimethylbenzamide?
The InChIKey is YNXGDSVEJDXSGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-11-9-13(3)14(10-12(11)2)15(18)16-7-6-8-17(4)5/h9-10H,6-8H2,1-5H3,(H,16,18).
What are the key properties of N-[3-(dimethylamino)propyl]-2,4,5-trimethylbenzamide?
N-[3-(dimethylamino)propyl]-2,4,5-trimethylbenzamide has a molecular weight of 248.37 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-2,4,5-trimethylbenzamide is sourced from PubChem (CID 95970652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).