4-[[1-(2-methylbutan-2-ylamino)-1-oxopropan-2-yl]amino]benzamide

C15H23N3O2 — CID 43112980

IUPAC4-[[1-(2-methylbutan-2-ylamino)-1-oxopropan-2-yl]amino]benzamide
SMILESCCC(C)(C)NC(=O)C(C)Nc1ccc(C(N)=O)cc1
InChIInChI=1S/C15H23N3O2/c1-5-15(3,4)18-14(20)10(2)17-12-8-6-11(7-9-12)13(16)19/h6-10,17H,5H2,1-4H3,(H2,16,19)(H,18,20)
InChIKeyPRFNOLFTMJUQHE-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.89
Rot. Bonds6

About 4-[[1-(2-methylbutan-2-ylamino)-1-oxopropan-2-yl]amino]benzamide

4-[[1-(2-methylbutan-2-ylamino)-1-oxopropan-2-yl]amino]benzamide (PubChem CID 43112980) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 4-[[1-(2-methylbutan-2-ylamino)-1-oxopropan-2-yl]amino]benzamide.

Molecular Properties

Compound Name4-[[1-(2-methylbutan-2-ylamino)-1-oxopropan-2-yl]amino]benzamide
PubChem CID43112980
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name4-[[1-(2-methylbutan-2-ylamino)-1-oxopropan-2-yl]amino]benzamide
SMILESCCC(C)(C)NC(=O)C(C)Nc1ccc(C(N)=O)cc1
InChIInChI=1S/C15H23N3O2/c1-5-15(3,4)18-14(20)10(2)17-12-8-6-11(7-9-12)13(16)19/h6-10,17H,5H2,1-4H3,(H2,16,19)(H,18,20)
InChIKeyPRFNOLFTMJUQHE-UHFFFAOYSA-N
XLogP1.89
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(dimethylamino)anilino]-N-(2-methylbutan-2-yl)propanamide
CID 43617105
2-(3,4-dimethylanilino)-N-(2-methylbutan-2-yl)propanamide
CID 43112841
2-(3,4-dicyanoanilino)-N-(2-methylbutan-2-yl)propanamide
CID 107789327
4-[[1-(3-methylbutylamino)-1-oxopropan-2-yl]amino]benzamide
CID 43112977
4-[[1-oxo-1-(prop-2-ynylamino)propan-2-yl]amino]benzamide
CID 43112981
2-[4-(2-cyanophenoxy)anilino]-N-(2-methylbutan-2-yl)propanamide
CID 47486344
4-[[(2R)-2-(4-fluoroanilino)propanoyl]amino]benzamide
CID 32736130
N-tert-butyl-2-(4-ethylanilino)propanamide
CID 45282110
(2R)-2-(4-acetamido-3-methoxyanilino)-N-(2-methylbutan-2-yl)propanamide
CID 94641742
N-(2-methylbutan-2-yl)-2-[(1-methylpyrazol-4-yl)amino]propanamide
CID 79779147
4-(pentan-2-ylamino)benzamide
CID 43193030
4-[2-(4-phenylanilino)propanoylamino]benzamide
CID 78667343

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(2-methylbutan-2-ylamino)-1-oxopropan-2-yl]amino]benzamide?
The IUPAC name of 4-[[1-(2-methylbutan-2-ylamino)-1-oxopropan-2-yl]amino]benzamide (CID 43112980) is 4-[[1-(2-methylbutan-2-ylamino)-1-oxopropan-2-yl]amino]benzamide.
What is the SMILES notation for 4-[[1-(2-methylbutan-2-ylamino)-1-oxopropan-2-yl]amino]benzamide?
The canonical SMILES for 4-[[1-(2-methylbutan-2-ylamino)-1-oxopropan-2-yl]amino]benzamide is CCC(C)(C)NC(=O)C(C)Nc1ccc(C(N)=O)cc1.
What is the InChIKey of 4-[[1-(2-methylbutan-2-ylamino)-1-oxopropan-2-yl]amino]benzamide?
The InChIKey is PRFNOLFTMJUQHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-5-15(3,4)18-14(20)10(2)17-12-8-6-11(7-9-12)13(16)19/h6-10,17H,5H2,1-4H3,(H2,16,19)(H,18,20).
What are the key properties of 4-[[1-(2-methylbutan-2-ylamino)-1-oxopropan-2-yl]amino]benzamide?
4-[[1-(2-methylbutan-2-ylamino)-1-oxopropan-2-yl]amino]benzamide has a molecular weight of 277.37 g/mol, XLogP of 1.89, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(2-methylbutan-2-ylamino)-1-oxopropan-2-yl]amino]benzamide is sourced from PubChem (CID 43112980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).