N-[4-[3-(dimethylamino)propoxy]phenyl]-4-ethylbenzamide

C20H26N2O2 — CID 86898199

IUPACN-[4-[3-(dimethylamino)propoxy]phenyl]-4-ethylbenzamide
SMILESCCc1ccc(C(=O)Nc2ccc(OCCCN(C)C)cc2)cc1
InChIInChI=1S/C20H26N2O2/c1-4-16-6-8-17(9-7-16)20(23)21-18-10-12-19(13-11-18)24-15-5-14-22(2)3/h6-13H,4-5,14-15H2,1-3H3,(H,21,23)
InChIKeyCKKQYSUZGISIFN-UHFFFAOYSA-N
MW326.44 g/mol
LogP3.83
Rot. Bonds8

About N-[4-[3-(dimethylamino)propoxy]phenyl]-4-ethylbenzamide

N-[4-[3-(dimethylamino)propoxy]phenyl]-4-ethylbenzamide (PubChem CID 86898199) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is N-[4-[3-(dimethylamino)propoxy]phenyl]-4-ethylbenzamide.

Molecular Properties

Compound NameN-[4-[3-(dimethylamino)propoxy]phenyl]-4-ethylbenzamide
PubChem CID86898199
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC NameN-[4-[3-(dimethylamino)propoxy]phenyl]-4-ethylbenzamide
SMILESCCc1ccc(C(=O)Nc2ccc(OCCCN(C)C)cc2)cc1
InChIInChI=1S/C20H26N2O2/c1-4-16-6-8-17(9-7-16)20(23)21-18-10-12-19(13-11-18)24-15-5-14-22(2)3/h6-13H,4-5,14-15H2,1-3H3,(H,21,23)
InChIKeyCKKQYSUZGISIFN-UHFFFAOYSA-N
XLogP3.83
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 53.83
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-(cyclopropylmethoxy)-N-[4-[3-(dimethylamino)propoxy]phenyl]benzamide
CID 86898305
N-[4-[3-(dimethylamino)propoxy]phenyl]-4-ethoxy-3-methylbenzamide
CID 86938312
4-(difluoromethylsulfonyl)-N-[4-[3-(dimethylamino)propoxy]phenyl]benzamide
CID 86898286
3-chloro-N-[4-[3-(dimethylamino)propoxy]phenyl]-4-methylbenzamide
CID 86898203
4-ethyl-N-[4-(2,2,2-trifluoroethoxy)phenyl]benzamide
CID 134010354
4-(2-methoxyethoxy)-N-[4-(2-methoxyethoxy)phenyl]benzamide
CID 15943272
4-[3-(dimethylamino)propylsulfamoyl]-N-(4-ethylphenyl)benzamide
CID 109060317
4-[(4-butoxybenzoyl)amino]-N-methylbenzamide
CID 9164625
N-(4-benzamidophenyl)-4-butoxybenzamide
CID 17235408
N-(4-ethylphenyl)-4-(phenoxymethyl)benzamide
CID 2195613
N-[4-(2-methoxyethoxy)phenyl]-4-(methoxymethyl)benzamide
CID 46441939
N-[4-[3-(dimethylamino)propoxy]phenyl]-2,3-dimethyl-1H-indole-5-carboxamide
CID 86898701

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(dimethylamino)propoxy]phenyl]-4-ethylbenzamide?
The IUPAC name of N-[4-[3-(dimethylamino)propoxy]phenyl]-4-ethylbenzamide (CID 86898199) is N-[4-[3-(dimethylamino)propoxy]phenyl]-4-ethylbenzamide.
What is the SMILES notation for N-[4-[3-(dimethylamino)propoxy]phenyl]-4-ethylbenzamide?
The canonical SMILES for N-[4-[3-(dimethylamino)propoxy]phenyl]-4-ethylbenzamide is CCc1ccc(C(=O)Nc2ccc(OCCCN(C)C)cc2)cc1.
What is the InChIKey of N-[4-[3-(dimethylamino)propoxy]phenyl]-4-ethylbenzamide?
The InChIKey is CKKQYSUZGISIFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2/c1-4-16-6-8-17(9-7-16)20(23)21-18-10-12-19(13-11-18)24-15-5-14-22(2)3/h6-13H,4-5,14-15H2,1-3H3,(H,21,23).
What are the key properties of N-[4-[3-(dimethylamino)propoxy]phenyl]-4-ethylbenzamide?
N-[4-[3-(dimethylamino)propoxy]phenyl]-4-ethylbenzamide has a molecular weight of 326.44 g/mol, XLogP of 3.83, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(dimethylamino)propoxy]phenyl]-4-ethylbenzamide is sourced from PubChem (CID 86898199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).