4-[[1-(3-methylbutylamino)-1-oxopropan-2-yl]amino]benzamide

C15H23N3O2 — CID 43112977

IUPAC4-[[1-(3-methylbutylamino)-1-oxopropan-2-yl]amino]benzamide
SMILESCC(C)CCNC(=O)C(C)Nc1ccc(C(N)=O)cc1
InChIInChI=1S/C15H23N3O2/c1-10(2)8-9-17-15(20)11(3)18-13-6-4-12(5-7-13)14(16)19/h4-7,10-11,18H,8-9H2,1-3H3,(H2,16,19)(H,17,20)
InChIKeyLJSLELOSPLOLFE-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.75
Rot. Bonds7

About 4-[[1-(3-methylbutylamino)-1-oxopropan-2-yl]amino]benzamide

4-[[1-(3-methylbutylamino)-1-oxopropan-2-yl]amino]benzamide (PubChem CID 43112977) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 4-[[1-(3-methylbutylamino)-1-oxopropan-2-yl]amino]benzamide.

Molecular Properties

Compound Name4-[[1-(3-methylbutylamino)-1-oxopropan-2-yl]amino]benzamide
PubChem CID43112977
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name4-[[1-(3-methylbutylamino)-1-oxopropan-2-yl]amino]benzamide
SMILESCC(C)CCNC(=O)C(C)Nc1ccc(C(N)=O)cc1
InChIInChI=1S/C15H23N3O2/c1-10(2)8-9-17-15(20)11(3)18-13-6-4-12(5-7-13)14(16)19/h4-7,10-11,18H,8-9H2,1-3H3,(H2,16,19)(H,17,20)
InChIKeyLJSLELOSPLOLFE-UHFFFAOYSA-N
XLogP1.75
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-iodoanilino)-N-(3-methylbutyl)propanamide
CID 43112998
4-[[1-oxo-1-(prop-2-ynylamino)propan-2-yl]amino]benzamide
CID 43112981
4-(pentan-2-ylamino)benzamide
CID 43193030
4-[[1-(2-methylbutan-2-ylamino)-1-oxopropan-2-yl]amino]benzamide
CID 43112980
N-(3-methylbutyl)-2-(naphthalen-2-ylamino)propanamide
CID 43420253
4-[[(2R)-2-(4-fluoroanilino)propanoyl]amino]benzamide
CID 32736130
2-(3-ethylanilino)-N-(3-methylbutyl)propanamide
CID 43113209
4-(hexan-2-ylamino)benzamide
CID 43760421
2-(1,3-benzodioxol-5-ylamino)-N-(3-methylbutyl)propanamide
CID 43112699
2-(4-bromo-3-chloroanilino)-N-(3-methylbutyl)propanamide
CID 107619927
2-(3-methoxyanilino)-N-(3-methylbutyl)propanamide
CID 43112828
4-[2-(4-phenylanilino)propanoylamino]benzamide
CID 78667343

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(3-methylbutylamino)-1-oxopropan-2-yl]amino]benzamide?
The IUPAC name of 4-[[1-(3-methylbutylamino)-1-oxopropan-2-yl]amino]benzamide (CID 43112977) is 4-[[1-(3-methylbutylamino)-1-oxopropan-2-yl]amino]benzamide.
What is the SMILES notation for 4-[[1-(3-methylbutylamino)-1-oxopropan-2-yl]amino]benzamide?
The canonical SMILES for 4-[[1-(3-methylbutylamino)-1-oxopropan-2-yl]amino]benzamide is CC(C)CCNC(=O)C(C)Nc1ccc(C(N)=O)cc1.
What is the InChIKey of 4-[[1-(3-methylbutylamino)-1-oxopropan-2-yl]amino]benzamide?
The InChIKey is LJSLELOSPLOLFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-10(2)8-9-17-15(20)11(3)18-13-6-4-12(5-7-13)14(16)19/h4-7,10-11,18H,8-9H2,1-3H3,(H2,16,19)(H,17,20).
What are the key properties of 4-[[1-(3-methylbutylamino)-1-oxopropan-2-yl]amino]benzamide?
4-[[1-(3-methylbutylamino)-1-oxopropan-2-yl]amino]benzamide has a molecular weight of 277.37 g/mol, XLogP of 1.75, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(3-methylbutylamino)-1-oxopropan-2-yl]amino]benzamide is sourced from PubChem (CID 43112977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).