N-tert-butyl-3-[[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide

C22H28N4O3 — CID 54844494

IUPACN-tert-butyl-3-[[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
SMILESCCNC(=O)c1cccc(NC(=O)CNc2cccc(C(=O)NC(C)(C)C)c2)c1
InChIInChI=1S/C22H28N4O3/c1-5-23-20(28)15-8-7-11-18(13-15)25-19(27)14-24-17-10-6-9-16(12-17)21(29)26-22(2,3)4/h6-13,24H,5,14H2,1-4H3,(H,23,28)(H,25,27)(H,26,29)
InChIKeyJKDSKAGNNRXVPY-UHFFFAOYSA-N
MW396.49 g/mol
LogP3.02
Rot. Bonds7

About N-tert-butyl-3-[[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide

N-tert-butyl-3-[[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide (PubChem CID 54844494) has the molecular formula C22H28N4O3 and a molecular weight of 396.49 g/mol. Its IUPAC name is N-tert-butyl-3-[[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide.

Molecular Properties

Compound NameN-tert-butyl-3-[[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
PubChem CID54844494
Molecular FormulaC22H28N4O3
Molecular Weight396.49 g/mol
Exact Mass396.22
IUPAC NameN-tert-butyl-3-[[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
SMILESCCNC(=O)c1cccc(NC(=O)CNc2cccc(C(=O)NC(C)(C)C)c2)c1
InChIInChI=1S/C22H28N4O3/c1-5-23-20(28)15-8-7-11-18(13-15)25-19(27)14-24-17-10-6-9-16(12-17)21(29)26-22(2,3)4/h6-13,24H,5,14H2,1-4H3,(H,23,28)(H,25,27)(H,26,29)
InChIKeyJKDSKAGNNRXVPY-UHFFFAOYSA-N
XLogP3.02
TPSA99.33 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 53.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze N-tert-butyl-3-[[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl]amino]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-tert-butyl-3-[[2-(ethylamino)-2-oxoethyl]amino]benzamide
CID 54844517
N-tert-butyl-3-[[2-(3-methylanilino)acetyl]amino]benzamide
CID 54810230
N-tert-butyl-3-[[2-[3-(2-methoxyethylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
CID 54844392
3-[[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]amino]-N-ethylbenzamide
CID 54837721
3-[[2-[3-(butan-2-ylcarbamoyl)anilino]-2-oxoethyl]amino]-N-tert-butylbenzamide
CID 54844628
N-tert-butyl-3-[[2-[3-(trifluoromethyl)anilino]acetyl]amino]benzamide
CID 54833776
N-tert-butyl-3-[[2-(4-chloroanilino)-2-oxoethyl]amino]benzamide
CID 54844566
N-ethyl-3-[[2-oxo-2-[3-(1-phenylethylcarbamoyl)anilino]ethyl]amino]benzamide
CID 54837990
N-ethyl-3-[[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
CID 54837724
N-tert-butyl-3-[[2-[4-(methylcarbamoyl)anilino]acetyl]amino]benzamide
CID 54845988
3-[[2-(3-butoxyanilino)-2-oxoethyl]amino]-N-tert-butylbenzamide
CID 54844364
N-ethyl-3-[[2-(3-propoxyanilino)acetyl]amino]benzamide
CID 36861007

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-[[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide?
The IUPAC name of N-tert-butyl-3-[[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide (CID 54844494) is N-tert-butyl-3-[[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide.
What is the SMILES notation for N-tert-butyl-3-[[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide?
The canonical SMILES for N-tert-butyl-3-[[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide is CCNC(=O)c1cccc(NC(=O)CNc2cccc(C(=O)NC(C)(C)C)c2)c1.
What is the InChIKey of N-tert-butyl-3-[[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide?
The InChIKey is JKDSKAGNNRXVPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O3/c1-5-23-20(28)15-8-7-11-18(13-15)25-19(27)14-24-17-10-6-9-16(12-17)21(29)26-22(2,3)4/h6-13,24H,5,14H2,1-4H3,(H,23,28)(H,25,27)(H,26,29).
What are the key properties of N-tert-butyl-3-[[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide?
N-tert-butyl-3-[[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide has a molecular weight of 396.49 g/mol, XLogP of 3.02, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-[[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide is sourced from PubChem (CID 54844494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).