N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-4-pyridin-3-ylbutanamide

C21H29N3O — CID 110623832

IUPACN-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-4-pyridin-3-ylbutanamide
SMILESCCc1ccc(C(CNC(=O)CCCc2cccnc2)N(C)C)cc1
InChIInChI=1S/C21H29N3O/c1-4-17-10-12-19(13-11-17)20(24(2)3)16-23-21(25)9-5-7-18-8-6-14-22-15-18/h6,8,10-15,20H,4-5,7,9,16H2,1-3H3,(H,23,25)
InChIKeyOHPLXNGOTRGCLI-UHFFFAOYSA-N
MW339.48 g/mol
LogP3.39
Rot. Bonds9

About N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-4-pyridin-3-ylbutanamide

N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-4-pyridin-3-ylbutanamide (PubChem CID 110623832) has the molecular formula C21H29N3O and a molecular weight of 339.48 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-4-pyridin-3-ylbutanamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-4-pyridin-3-ylbutanamide
PubChem CID110623832
Molecular FormulaC21H29N3O
Molecular Weight339.48 g/mol
Exact Mass339.23
IUPAC NameN-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-4-pyridin-3-ylbutanamide
SMILESCCc1ccc(C(CNC(=O)CCCc2cccnc2)N(C)C)cc1
InChIInChI=1S/C21H29N3O/c1-4-17-10-12-19(13-11-17)20(24(2)3)16-23-21(25)9-5-7-18-8-6-14-22-15-18/h6,8,10-15,20H,4-5,7,9,16H2,1-3H3,(H,23,25)
InChIKeyOHPLXNGOTRGCLI-UHFFFAOYSA-N
XLogP3.39
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.48
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-4-pyridin-3-ylbutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-pyridin-3-ylurea
CID 18101908
N-[3-(dimethylamino)propyl]-4-pyridin-3-ylbutanamide
CID 110408294
N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-4-(3-phenyl-1,2,4-oxadiazol-5-yl)butanamide
CID 24640199
N-(2-ethylbutyl)-3-pyridin-3-ylpropanamide
CID 115612776
N-(2-phenylethyl)-4-pyridin-3-ylbutanamide
CID 110410890
N-[2-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]-4-pyridin-3-ylbutanamide
CID 110622335
N-[(2R)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide
CID 30527770
3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-[(2R)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]propanamide
CID 30528420
3-[4-(diethylsulfamoyl)phenyl]-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]propanamide
CID 46522728
N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3-(4-ethylphenyl)propanamide
CID 43044979
N-(4-methoxybutyl)-4-pyridin-3-ylbutanamide
CID 110610244
N-[2-[2-(diethylamino)ethoxy]ethyl]-4-pyridin-3-ylbutanamide
CID 110612739

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-4-pyridin-3-ylbutanamide?
The IUPAC name of N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-4-pyridin-3-ylbutanamide (CID 110623832) is N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-4-pyridin-3-ylbutanamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-4-pyridin-3-ylbutanamide?
The canonical SMILES for N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-4-pyridin-3-ylbutanamide is CCc1ccc(C(CNC(=O)CCCc2cccnc2)N(C)C)cc1.
What is the InChIKey of N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-4-pyridin-3-ylbutanamide?
The InChIKey is OHPLXNGOTRGCLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O/c1-4-17-10-12-19(13-11-17)20(24(2)3)16-23-21(25)9-5-7-18-8-6-14-22-15-18/h6,8,10-15,20H,4-5,7,9,16H2,1-3H3,(H,23,25).
What are the key properties of N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-4-pyridin-3-ylbutanamide?
N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-4-pyridin-3-ylbutanamide has a molecular weight of 339.48 g/mol, XLogP of 3.39, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-4-pyridin-3-ylbutanamide is sourced from PubChem (CID 110623832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).