4-tert-butyl-N-[2-[[4-(dimethylamino)benzoyl]amino]ethyl]benzamide

C22H29N3O2 — CID 108542009

IUPAC4-tert-butyl-N-[2-[[4-(dimethylamino)benzoyl]amino]ethyl]benzamide
SMILESCN(C)c1ccc(C(=O)NCCNC(=O)c2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C22H29N3O2/c1-22(2,3)18-10-6-16(7-11-18)20(26)23-14-15-24-21(27)17-8-12-19(13-9-17)25(4)5/h6-13H,14-15H2,1-5H3,(H,23,26)(H,24,27)
InChIKeyJEQOYACQZGPWNN-UHFFFAOYSA-N
MW367.49 g/mol
LogP3.21
Rot. Bonds6

About 4-tert-butyl-N-[2-[[4-(dimethylamino)benzoyl]amino]ethyl]benzamide

4-tert-butyl-N-[2-[[4-(dimethylamino)benzoyl]amino]ethyl]benzamide (PubChem CID 108542009) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is 4-tert-butyl-N-[2-[[4-(dimethylamino)benzoyl]amino]ethyl]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-[2-[[4-(dimethylamino)benzoyl]amino]ethyl]benzamide
PubChem CID108542009
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC Name4-tert-butyl-N-[2-[[4-(dimethylamino)benzoyl]amino]ethyl]benzamide
SMILESCN(C)c1ccc(C(=O)NCCNC(=O)c2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C22H29N3O2/c1-22(2,3)18-10-6-16(7-11-18)20(26)23-14-15-24-21(27)17-8-12-19(13-9-17)25(4)5/h6-13H,14-15H2,1-5H3,(H,23,26)(H,24,27)
InChIKeyJEQOYACQZGPWNN-UHFFFAOYSA-N
XLogP3.21
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-tert-butyl-N-[2-[[4-(dimethylamino)benzoyl]amino]ethyl]benzamide 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

N-(2-benzamidoethyl)-4-(dimethylamino)benzamide
CID 38175898
N-[2-[[4-(dimethylamino)benzoyl]amino]ethyl]-3,5-dihydroxybenzamide
CID 108543039
4-tert-butyl-N-[6-[(4-tert-butylbenzoyl)amino]hexyl]benzamide
CID 3415356
4-(dimethylamino)-N-[3-(dimethylamino)propyl]benzamide
CID 3978888
4-(dimethylamino)-N-pentylbenzamide
CID 21064504
4-tert-butyl-N-[3-(dimethylamino)propyl]benzamide
CID 4156706
4-(dimethylamino)-N-[2-[(2-methoxyacetyl)amino]ethyl]benzamide
CID 108542960
4-(dimethylamino)-N-[2-[(2-phenylacetyl)amino]ethyl]benzamide
CID 108540008
4-(dimethylamino)-N-heptylbenzamide
CID 86046283
4-[[4-(dimethylamino)benzoyl]amino]butanoic acid
CID 10658325
N-[2-(diethylamino)ethyl]-4-(dimethylamino)benzamide
CID 47101000
methyl 2-[[4-(dimethylamino)benzoyl]amino]acetate
CID 27682246

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[2-[[4-(dimethylamino)benzoyl]amino]ethyl]benzamide?
The IUPAC name of 4-tert-butyl-N-[2-[[4-(dimethylamino)benzoyl]amino]ethyl]benzamide (CID 108542009) is 4-tert-butyl-N-[2-[[4-(dimethylamino)benzoyl]amino]ethyl]benzamide.
What is the SMILES notation for 4-tert-butyl-N-[2-[[4-(dimethylamino)benzoyl]amino]ethyl]benzamide?
The canonical SMILES for 4-tert-butyl-N-[2-[[4-(dimethylamino)benzoyl]amino]ethyl]benzamide is CN(C)c1ccc(C(=O)NCCNC(=O)c2ccc(C(C)(C)C)cc2)cc1.
What is the InChIKey of 4-tert-butyl-N-[2-[[4-(dimethylamino)benzoyl]amino]ethyl]benzamide?
The InChIKey is JEQOYACQZGPWNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O2/c1-22(2,3)18-10-6-16(7-11-18)20(26)23-14-15-24-21(27)17-8-12-19(13-9-17)25(4)5/h6-13H,14-15H2,1-5H3,(H,23,26)(H,24,27).
What are the key properties of 4-tert-butyl-N-[2-[[4-(dimethylamino)benzoyl]amino]ethyl]benzamide?
4-tert-butyl-N-[2-[[4-(dimethylamino)benzoyl]amino]ethyl]benzamide has a molecular weight of 367.49 g/mol, XLogP of 3.21, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[2-[[4-(dimethylamino)benzoyl]amino]ethyl]benzamide is sourced from PubChem (CID 108542009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).