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

C15H23N3O2 — CID 54844517

IUPACN-tert-butyl-3-[[2-(ethylamino)-2-oxoethyl]amino]benzamide
SMILESCCNC(=O)CNc1cccc(C(=O)NC(C)(C)C)c1
InChIInChI=1S/C15H23N3O2/c1-5-16-13(19)10-17-12-8-6-7-11(9-12)14(20)18-15(2,3)4/h6-9,17H,5,10H2,1-4H3,(H,16,19)(H,18,20)
InChIKeyVDQDSYKBYRDCOD-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.76
Rot. Bonds5

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

N-tert-butyl-3-[[2-(ethylamino)-2-oxoethyl]amino]benzamide (PubChem CID 54844517) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is N-tert-butyl-3-[[2-(ethylamino)-2-oxoethyl]amino]benzamide.

Molecular Properties

Compound NameN-tert-butyl-3-[[2-(ethylamino)-2-oxoethyl]amino]benzamide
PubChem CID54844517
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC NameN-tert-butyl-3-[[2-(ethylamino)-2-oxoethyl]amino]benzamide
SMILESCCNC(=O)CNc1cccc(C(=O)NC(C)(C)C)c1
InChIInChI=1S/C15H23N3O2/c1-5-16-13(19)10-17-12-8-6-7-11(9-12)14(20)18-15(2,3)4/h6-9,17H,5,10H2,1-4H3,(H,16,19)(H,18,20)
InChIKeyVDQDSYKBYRDCOD-UHFFFAOYSA-N
XLogP1.76
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-tert-butyl-3-[[2-(ethylamino)-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-[3-(ethylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
CID 54844494
N-tert-butyl-3-[[2-(3-methylanilino)acetyl]amino]benzamide
CID 54810230
N-tert-butyl-3-[[2-(4-chloroanilino)-2-oxoethyl]amino]benzamide
CID 54844566
N-tert-butyl-3-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]benzamide
CID 54844261
N-tert-butyl-3-[[2-[3-(2-methoxyethylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
CID 54844392
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
3-[[2-(tert-butylamino)-2-oxoethyl]amino]-N,N-diethylbenzamide
CID 54832401
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-butan-2-yl-3-[[2-[4-(tert-butylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
CID 54835192
2-(3-aminoanilino)-N-ethylacetamide
CID 43566786

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-[[2-(ethylamino)-2-oxoethyl]amino]benzamide?
The IUPAC name of N-tert-butyl-3-[[2-(ethylamino)-2-oxoethyl]amino]benzamide (CID 54844517) is N-tert-butyl-3-[[2-(ethylamino)-2-oxoethyl]amino]benzamide.
What is the SMILES notation for N-tert-butyl-3-[[2-(ethylamino)-2-oxoethyl]amino]benzamide?
The canonical SMILES for N-tert-butyl-3-[[2-(ethylamino)-2-oxoethyl]amino]benzamide is CCNC(=O)CNc1cccc(C(=O)NC(C)(C)C)c1.
What is the InChIKey of N-tert-butyl-3-[[2-(ethylamino)-2-oxoethyl]amino]benzamide?
The InChIKey is VDQDSYKBYRDCOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-5-16-13(19)10-17-12-8-6-7-11(9-12)14(20)18-15(2,3)4/h6-9,17H,5,10H2,1-4H3,(H,16,19)(H,18,20).
What are the key properties of N-tert-butyl-3-[[2-(ethylamino)-2-oxoethyl]amino]benzamide?
N-tert-butyl-3-[[2-(ethylamino)-2-oxoethyl]amino]benzamide has a molecular weight of 277.37 g/mol, XLogP of 1.76, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-[[2-(ethylamino)-2-oxoethyl]amino]benzamide is sourced from PubChem (CID 54844517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).