4-tert-butyl-N-[3-[ethyl(2-hydroxyethyl)amino]-3-oxopropyl]benzamide

C18H28N2O3 — CID 78796540

IUPAC4-tert-butyl-N-[3-[ethyl(2-hydroxyethyl)amino]-3-oxopropyl]benzamide
SMILESCCN(CCO)C(=O)CCNC(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C18H28N2O3/c1-5-20(12-13-21)16(22)10-11-19-17(23)14-6-8-15(9-7-14)18(2,3)4/h6-9,21H,5,10-13H2,1-4H3,(H,19,23)
InChIKeyUZTAHRKEXGNEOR-UHFFFAOYSA-N
MW320.43 g/mol
LogP1.94
Rot. Bonds7

About 4-tert-butyl-N-[3-[ethyl(2-hydroxyethyl)amino]-3-oxopropyl]benzamide

4-tert-butyl-N-[3-[ethyl(2-hydroxyethyl)amino]-3-oxopropyl]benzamide (PubChem CID 78796540) has the molecular formula C18H28N2O3 and a molecular weight of 320.43 g/mol. Its IUPAC name is 4-tert-butyl-N-[3-[ethyl(2-hydroxyethyl)amino]-3-oxopropyl]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-[3-[ethyl(2-hydroxyethyl)amino]-3-oxopropyl]benzamide
PubChem CID78796540
Molecular FormulaC18H28N2O3
Molecular Weight320.43 g/mol
Exact Mass320.21
IUPAC Name4-tert-butyl-N-[3-[ethyl(2-hydroxyethyl)amino]-3-oxopropyl]benzamide
SMILESCCN(CCO)C(=O)CCNC(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C18H28N2O3/c1-5-20(12-13-21)16(22)10-11-19-17(23)14-6-8-15(9-7-14)18(2,3)4/h6-9,21H,5,10-13H2,1-4H3,(H,19,23)
InChIKeyUZTAHRKEXGNEOR-UHFFFAOYSA-N
XLogP1.94
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-tert-butyl-N-[3-[ethyl(2-hydroxyethyl)amino]-3-oxopropyl]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

4-tert-butyl-N-[2-(diethylamino)ethyl]benzamide
CID 19165344
N-[3-(diethylamino)-3-oxopropyl]-4-sulfanylbenzamide
CID 107034718
4-tert-butyl-N-[3-(dimethylamino)propyl]benzamide
CID 4156706
3-[(4-tert-butylphenyl)methyl]-1-ethyl-1-(2-hydroxyethyl)urea
CID 110910290
N-[3-[(3-amino-2,2-dimethylpropyl)-methylamino]-3-oxopropyl]-4-tert-butylbenzamide
CID 119654300
4-tert-butyl-N-[6-[(4-tert-butylbenzoyl)amino]hexyl]benzamide
CID 3415356
4-tert-butyl-N-[3-[(1-hydroxy-2-methylpropan-2-yl)amino]-3-oxopropyl]benzamide
CID 110878328
4-tert-butyl-N-[3-[1-(4-cyanophenyl)ethyl-ethylamino]-3-oxopropyl]benzamide
CID 55593120
N-[3-[benzyl(ethyl)amino]-3-oxopropyl]benzamide
CID 17154440
N-[3-[2,2-difluoroethyl(2-hydroxyethyl)amino]-3-oxopropyl]benzamide
CID 107482734
3-[3-(4-tert-butylphenoxy)propyl]-1-ethyl-1-(2-hydroxyethyl)urea
CID 108882833
4-tert-butyl-N-nonylbenzamide
CID 4642451

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[3-[ethyl(2-hydroxyethyl)amino]-3-oxopropyl]benzamide?
The IUPAC name of 4-tert-butyl-N-[3-[ethyl(2-hydroxyethyl)amino]-3-oxopropyl]benzamide (CID 78796540) is 4-tert-butyl-N-[3-[ethyl(2-hydroxyethyl)amino]-3-oxopropyl]benzamide.
What is the SMILES notation for 4-tert-butyl-N-[3-[ethyl(2-hydroxyethyl)amino]-3-oxopropyl]benzamide?
The canonical SMILES for 4-tert-butyl-N-[3-[ethyl(2-hydroxyethyl)amino]-3-oxopropyl]benzamide is CCN(CCO)C(=O)CCNC(=O)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 4-tert-butyl-N-[3-[ethyl(2-hydroxyethyl)amino]-3-oxopropyl]benzamide?
The InChIKey is UZTAHRKEXGNEOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3/c1-5-20(12-13-21)16(22)10-11-19-17(23)14-6-8-15(9-7-14)18(2,3)4/h6-9,21H,5,10-13H2,1-4H3,(H,19,23).
What are the key properties of 4-tert-butyl-N-[3-[ethyl(2-hydroxyethyl)amino]-3-oxopropyl]benzamide?
4-tert-butyl-N-[3-[ethyl(2-hydroxyethyl)amino]-3-oxopropyl]benzamide has a molecular weight of 320.43 g/mol, XLogP of 1.94, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[3-[ethyl(2-hydroxyethyl)amino]-3-oxopropyl]benzamide is sourced from PubChem (CID 78796540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).