3-[1-[4-(2-amino-2-oxoethyl)-3-tert-butylphenyl]-2-methylpropan-2-yl]-N-cyclopropylbenzamide

C26H34N2O2 — CID 134476073

IUPAC3-[1-[4-(2-amino-2-oxoethyl)-3-tert-butylphenyl]-2-methylpropan-2-yl]-N-cyclopropylbenzamide
SMILESCC(C)(C)c1cc(CC(C)(C)c2cccc(C(=O)NC3CC3)c2)ccc1CC(N)=O
InChIInChI=1S/C26H34N2O2/c1-25(2,3)22-13-17(9-10-18(22)15-23(27)29)16-26(4,5)20-8-6-7-19(14-20)24(30)28-21-11-12-21/h6-10,13-14,21H,11-12,15-16H2,1-5H3,(H2,27,29)(H,28,30)
InChIKeyMGXUFJNBXYTVBT-UHFFFAOYSA-N
MW406.57 g/mol
LogP4.42
Rot. Bonds7

About 3-[1-[4-(2-amino-2-oxoethyl)-3-tert-butylphenyl]-2-methylpropan-2-yl]-N-cyclopropylbenzamide

3-[1-[4-(2-amino-2-oxoethyl)-3-tert-butylphenyl]-2-methylpropan-2-yl]-N-cyclopropylbenzamide (PubChem CID 134476073) has the molecular formula C26H34N2O2 and a molecular weight of 406.57 g/mol. Its IUPAC name is 3-[1-[4-(2-amino-2-oxoethyl)-3-tert-butylphenyl]-2-methylpropan-2-yl]-N-cyclopropylbenzamide.

Molecular Properties

Compound Name3-[1-[4-(2-amino-2-oxoethyl)-3-tert-butylphenyl]-2-methylpropan-2-yl]-N-cyclopropylbenzamide
PubChem CID134476073
Molecular FormulaC26H34N2O2
Molecular Weight406.57 g/mol
Exact Mass406.26
IUPAC Name3-[1-[4-(2-amino-2-oxoethyl)-3-tert-butylphenyl]-2-methylpropan-2-yl]-N-cyclopropylbenzamide
SMILESCC(C)(C)c1cc(CC(C)(C)c2cccc(C(=O)NC3CC3)c2)ccc1CC(N)=O
InChIInChI=1S/C26H34N2O2/c1-25(2,3)22-13-17(9-10-18(22)15-23(27)29)16-26(4,5)20-8-6-7-19(14-20)24(30)28-21-11-12-21/h6-10,13-14,21H,11-12,15-16H2,1-5H3,(H2,27,29)(H,28,30)
InChIKeyMGXUFJNBXYTVBT-UHFFFAOYSA-N
XLogP4.42
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.57
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-tert-butyl-N-cyclopropylbenzamide
CID 59732225
3-[3-(4-tert-butylphenyl)propanoylamino]-N-cyclopropylbenzamide
CID 46698713
N-(4-aminocyclohexyl)-3-(trifluoromethyl)benzamide;hydrochloride
CID 119478233
3-[(4-tert-butylbenzoyl)amino]-N-cyclopropylbenzamide
CID 26110808
3-[1-[3-ethyl-4-(methanesulfonamido)phenyl]-2-methylpropan-2-yl]benzamide
CID 166778256
3-N-cyclopropyl-1-N-[(3,4-dimethoxyphenyl)methyl]benzene-1,3-dicarboxamide
CID 109050721
1-N-benzyl-3-N-cyclopropylbenzene-1,3-dicarboxamide
CID 109050687
3-(chloromethyl)-N-(4-propylcyclohexyl)benzamide
CID 63463700
3-amino-N-[1-(4-tert-butylphenyl)piperidin-4-yl]benzamide
CID 119862941
N-cyclopropyl-3-[[2-[4-(trifluoromethyl)phenyl]acetyl]amino]benzamide
CID 24535194
N-cyclopropyl-3-[3-(4-methylphenyl)propanoylamino]benzamide
CID 18121849
3-(carbamoylamino)-N-cyclopropylbenzamide
CID 9210111

Frequently Asked Questions

What is the IUPAC name of 3-[1-[4-(2-amino-2-oxoethyl)-3-tert-butylphenyl]-2-methylpropan-2-yl]-N-cyclopropylbenzamide?
The IUPAC name of 3-[1-[4-(2-amino-2-oxoethyl)-3-tert-butylphenyl]-2-methylpropan-2-yl]-N-cyclopropylbenzamide (CID 134476073) is 3-[1-[4-(2-amino-2-oxoethyl)-3-tert-butylphenyl]-2-methylpropan-2-yl]-N-cyclopropylbenzamide.
What is the SMILES notation for 3-[1-[4-(2-amino-2-oxoethyl)-3-tert-butylphenyl]-2-methylpropan-2-yl]-N-cyclopropylbenzamide?
The canonical SMILES for 3-[1-[4-(2-amino-2-oxoethyl)-3-tert-butylphenyl]-2-methylpropan-2-yl]-N-cyclopropylbenzamide is CC(C)(C)c1cc(CC(C)(C)c2cccc(C(=O)NC3CC3)c2)ccc1CC(N)=O.
What is the InChIKey of 3-[1-[4-(2-amino-2-oxoethyl)-3-tert-butylphenyl]-2-methylpropan-2-yl]-N-cyclopropylbenzamide?
The InChIKey is MGXUFJNBXYTVBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N2O2/c1-25(2,3)22-13-17(9-10-18(22)15-23(27)29)16-26(4,5)20-8-6-7-19(14-20)24(30)28-21-11-12-21/h6-10,13-14,21H,11-12,15-16H2,1-5H3,(H2,27,29)(H,28,30).
What are the key properties of 3-[1-[4-(2-amino-2-oxoethyl)-3-tert-butylphenyl]-2-methylpropan-2-yl]-N-cyclopropylbenzamide?
3-[1-[4-(2-amino-2-oxoethyl)-3-tert-butylphenyl]-2-methylpropan-2-yl]-N-cyclopropylbenzamide has a molecular weight of 406.57 g/mol, XLogP of 4.42, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[4-(2-amino-2-oxoethyl)-3-tert-butylphenyl]-2-methylpropan-2-yl]-N-cyclopropylbenzamide is sourced from PubChem (CID 134476073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).