3,5-bis(2,2-dimethylpropanoylamino)-N-propan-2-ylbenzamide

C20H31N3O3 — CID 58903239

IUPAC3,5-bis(2,2-dimethylpropanoylamino)-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1cc(NC(=O)C(C)(C)C)cc(NC(=O)C(C)(C)C)c1
InChIInChI=1S/C20H31N3O3/c1-12(2)21-16(24)13-9-14(22-17(25)19(3,4)5)11-15(10-13)23-18(26)20(6,7)8/h9-12H,1-8H3,(H,21,24)(H,22,25)(H,23,26)
InChIKeyXXNOZIMYHXRVAG-UHFFFAOYSA-N
MW361.49 g/mol
LogP3.79
Rot. Bonds4

About 3,5-bis(2,2-dimethylpropanoylamino)-N-propan-2-ylbenzamide

3,5-bis(2,2-dimethylpropanoylamino)-N-propan-2-ylbenzamide (PubChem CID 58903239) has the molecular formula C20H31N3O3 and a molecular weight of 361.49 g/mol. Its IUPAC name is 3,5-bis(2,2-dimethylpropanoylamino)-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name3,5-bis(2,2-dimethylpropanoylamino)-N-propan-2-ylbenzamide
PubChem CID58903239
Molecular FormulaC20H31N3O3
Molecular Weight361.49 g/mol
Exact Mass361.24
IUPAC Name3,5-bis(2,2-dimethylpropanoylamino)-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1cc(NC(=O)C(C)(C)C)cc(NC(=O)C(C)(C)C)c1
InChIInChI=1S/C20H31N3O3/c1-12(2)21-16(24)13-9-14(22-17(25)19(3,4)5)11-15(10-13)23-18(26)20(6,7)8/h9-12H,1-8H3,(H,21,24)(H,22,25)(H,23,26)
InChIKeyXXNOZIMYHXRVAG-UHFFFAOYSA-N
XLogP3.79
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 53.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,2-dimethylpropanoylamino)-N-propan-2-ylbenzamide
CID 17197425
5-(2,2-dimethylpropanoylamino)benzene-1,3-dicarboxylic acid
CID 749542
N-(3-acetylphenyl)-3,5-bis(2,2-dimethylpropanoylamino)benzamide
CID 17171661
N-tert-butyl-3-(2,2-dimethylpropanoylamino)-5-(2-methylprop-2-enoylamino)benzamide
CID 89029759
N-[(2R)-butan-2-yl]-4-(2,2-dimethylpropanoylamino)benzamide
CID 42427493
N-propan-2-yl-3-(2,2,3,3-tetrafluoropropanoylamino)benzamide
CID 103732776
3,5-bis(propan-2-ylcarbamothioylamino)benzoic acid
CID 91687122
N-butan-2-yl-3-[[2-[3-(2,2-dimethylpropanoylamino)anilino]-2-oxoethyl]amino]benzamide
CID 54835251
N-butan-2-yl-3-[[2-[3-(2,2-dimethylpropanoylamino)anilino]acetyl]amino]benzamide
CID 54835547
3,5-bis[[(2S)-2-[[3,5-bis[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]benzoyl]amino]propanoyl]amino]benzoic acid
CID 102088002
N,3,5-tri(propan-2-yl)benzamide
CID 168742850
N-[1-(3,4-difluorophenyl)ethyl]-3-(2,2-dimethylpropanoylamino)benzamide
CID 134057320

Frequently Asked Questions

What is the IUPAC name of 3,5-bis(2,2-dimethylpropanoylamino)-N-propan-2-ylbenzamide?
The IUPAC name of 3,5-bis(2,2-dimethylpropanoylamino)-N-propan-2-ylbenzamide (CID 58903239) is 3,5-bis(2,2-dimethylpropanoylamino)-N-propan-2-ylbenzamide.
What is the SMILES notation for 3,5-bis(2,2-dimethylpropanoylamino)-N-propan-2-ylbenzamide?
The canonical SMILES for 3,5-bis(2,2-dimethylpropanoylamino)-N-propan-2-ylbenzamide is CC(C)NC(=O)c1cc(NC(=O)C(C)(C)C)cc(NC(=O)C(C)(C)C)c1.
What is the InChIKey of 3,5-bis(2,2-dimethylpropanoylamino)-N-propan-2-ylbenzamide?
The InChIKey is XXNOZIMYHXRVAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O3/c1-12(2)21-16(24)13-9-14(22-17(25)19(3,4)5)11-15(10-13)23-18(26)20(6,7)8/h9-12H,1-8H3,(H,21,24)(H,22,25)(H,23,26).
What are the key properties of 3,5-bis(2,2-dimethylpropanoylamino)-N-propan-2-ylbenzamide?
3,5-bis(2,2-dimethylpropanoylamino)-N-propan-2-ylbenzamide has a molecular weight of 361.49 g/mol, XLogP of 3.79, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis(2,2-dimethylpropanoylamino)-N-propan-2-ylbenzamide is sourced from PubChem (CID 58903239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).