3-[[2-(4-butan-2-ylanilino)-2-oxoethyl]amino]-2-methylbenzamide

C20H25N3O2 — CID 87028988

IUPAC3-[[2-(4-butan-2-ylanilino)-2-oxoethyl]amino]-2-methylbenzamide
SMILESCCC(C)c1ccc(NC(=O)CNc2cccc(C(N)=O)c2C)cc1
InChIInChI=1S/C20H25N3O2/c1-4-13(2)15-8-10-16(11-9-15)23-19(24)12-22-18-7-5-6-17(14(18)3)20(21)25/h5-11,13,22H,4,12H2,1-3H3,(H2,21,25)(H,23,24)
InChIKeyRDULRQCWRVFCKD-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.66
Rot. Bonds7

About 3-[[2-(4-butan-2-ylanilino)-2-oxoethyl]amino]-2-methylbenzamide

3-[[2-(4-butan-2-ylanilino)-2-oxoethyl]amino]-2-methylbenzamide (PubChem CID 87028988) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 3-[[2-(4-butan-2-ylanilino)-2-oxoethyl]amino]-2-methylbenzamide.

Molecular Properties

Compound Name3-[[2-(4-butan-2-ylanilino)-2-oxoethyl]amino]-2-methylbenzamide
PubChem CID87028988
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name3-[[2-(4-butan-2-ylanilino)-2-oxoethyl]amino]-2-methylbenzamide
SMILESCCC(C)c1ccc(NC(=O)CNc2cccc(C(N)=O)c2C)cc1
InChIInChI=1S/C20H25N3O2/c1-4-13(2)15-8-10-16(11-9-15)23-19(24)12-22-18-7-5-6-17(14(18)3)20(21)25/h5-11,13,22H,4,12H2,1-3H3,(H2,21,25)(H,23,24)
InChIKeyRDULRQCWRVFCKD-UHFFFAOYSA-N
XLogP3.66
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-[[2-(4-butan-2-ylanilino)-2-oxoethyl]amino]-2-methylbenzamide 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

3-[(2-anilino-2-oxoethyl)amino]-2-methylbenzamide
CID 60537419
2-[[2-(4-ethylanilino)-2-oxoethyl]amino]benzamide
CID 16606561
3-[[2-(2-fluoroanilino)-2-oxoethyl]amino]-2-methylbenzamide
CID 78866555
2-amino-N-(4-butan-2-ylphenyl)acetamide
CID 43218233
2-(2-ethyl-3-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)acetamide
CID 22304432
methyl 4-[[2-(2-carbamoylanilino)acetyl]amino]benzoate
CID 30637236
2-[1-(4-butan-2-ylanilino)-1-oxopropan-2-yl]oxybenzamide
CID 42898417
2-[[2-(4-butoxyanilino)-2-oxoethyl]amino]benzamide
CID 54811984
N-[4-[(2R)-butan-2-yl]phenyl]-2-chloroacetamide
CID 2384376
3-[[2-(tert-butylamino)acetyl]amino]-2-methylbenzamide
CID 78987092
3-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-2-methylbenzamide
CID 61180394
N-(4-butan-2-ylphenyl)-2-fluoro-3-methylbenzamide
CID 81481600

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(4-butan-2-ylanilino)-2-oxoethyl]amino]-2-methylbenzamide?
The IUPAC name of 3-[[2-(4-butan-2-ylanilino)-2-oxoethyl]amino]-2-methylbenzamide (CID 87028988) is 3-[[2-(4-butan-2-ylanilino)-2-oxoethyl]amino]-2-methylbenzamide.
What is the SMILES notation for 3-[[2-(4-butan-2-ylanilino)-2-oxoethyl]amino]-2-methylbenzamide?
The canonical SMILES for 3-[[2-(4-butan-2-ylanilino)-2-oxoethyl]amino]-2-methylbenzamide is CCC(C)c1ccc(NC(=O)CNc2cccc(C(N)=O)c2C)cc1.
What is the InChIKey of 3-[[2-(4-butan-2-ylanilino)-2-oxoethyl]amino]-2-methylbenzamide?
The InChIKey is RDULRQCWRVFCKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-4-13(2)15-8-10-16(11-9-15)23-19(24)12-22-18-7-5-6-17(14(18)3)20(21)25/h5-11,13,22H,4,12H2,1-3H3,(H2,21,25)(H,23,24).
What are the key properties of 3-[[2-(4-butan-2-ylanilino)-2-oxoethyl]amino]-2-methylbenzamide?
3-[[2-(4-butan-2-ylanilino)-2-oxoethyl]amino]-2-methylbenzamide has a molecular weight of 339.44 g/mol, XLogP of 3.66, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(4-butan-2-ylanilino)-2-oxoethyl]amino]-2-methylbenzamide is sourced from PubChem (CID 87028988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).