3-[3-(4-tert-butylphenyl)propanoylamino]-N-cyclopropylbenzamide

C23H28N2O2 — CID 46698713

IUPAC3-[3-(4-tert-butylphenyl)propanoylamino]-N-cyclopropylbenzamide
SMILESCC(C)(C)c1ccc(CCC(=O)Nc2cccc(C(=O)NC3CC3)c2)cc1
InChIInChI=1S/C23H28N2O2/c1-23(2,3)18-10-7-16(8-11-18)9-14-21(26)24-20-6-4-5-17(15-20)22(27)25-19-12-13-19/h4-8,10-11,15,19H,9,12-14H2,1-3H3,(H,24,26)(H,25,27)
InChIKeyFQKVPFUSKOIZPP-UHFFFAOYSA-N
MW364.49 g/mol
LogP4.45
Rot. Bonds6

About 3-[3-(4-tert-butylphenyl)propanoylamino]-N-cyclopropylbenzamide

3-[3-(4-tert-butylphenyl)propanoylamino]-N-cyclopropylbenzamide (PubChem CID 46698713) has the molecular formula C23H28N2O2 and a molecular weight of 364.49 g/mol. Its IUPAC name is 3-[3-(4-tert-butylphenyl)propanoylamino]-N-cyclopropylbenzamide.

Molecular Properties

Compound Name3-[3-(4-tert-butylphenyl)propanoylamino]-N-cyclopropylbenzamide
PubChem CID46698713
Molecular FormulaC23H28N2O2
Molecular Weight364.49 g/mol
Exact Mass364.22
IUPAC Name3-[3-(4-tert-butylphenyl)propanoylamino]-N-cyclopropylbenzamide
SMILESCC(C)(C)c1ccc(CCC(=O)Nc2cccc(C(=O)NC3CC3)c2)cc1
InChIInChI=1S/C23H28N2O2/c1-23(2,3)18-10-7-16(8-11-18)9-14-21(26)24-20-6-4-5-17(15-20)22(27)25-19-12-13-19/h4-8,10-11,15,19H,9,12-14H2,1-3H3,(H,24,26)(H,25,27)
InChIKeyFQKVPFUSKOIZPP-UHFFFAOYSA-N
XLogP4.45
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclopropyl-3-[3-(4-methylphenyl)propanoylamino]benzamide
CID 18121849
3-[(4-tert-butylbenzoyl)amino]-N-cyclopropylbenzamide
CID 26110808
N-cyclopropyl-3-[[2-[4-(trifluoromethyl)phenyl]acetyl]amino]benzamide
CID 24535194
N-[3-[3-(4-tert-butylphenyl)propanoylamino]phenyl]cyclopropanecarboxamide
CID 55573150
3-(4-tert-butylphenyl)-N-[4-(cyclopropylcarbamoylamino)phenyl]propanamide
CID 55532868
N-(3-bromophenyl)-3-(4-tert-butylphenyl)propanamide
CID 19221197
3-[[2-(tert-butylamino)acetyl]amino]-N-cyclopropylbenzamide
CID 17415806
4-tert-butyl-N-[3-[3-(4-methylphenyl)propanoylamino]phenyl]benzamide
CID 92681733
N-cyclopropyl-3-(5-hydroxypentanoylamino)benzamide
CID 79199370
N-cyclopropyl-3-[3-(furan-2-yl)propanoylamino]benzamide
CID 9360830
3-(4-tert-butylphenyl)-N-(3-chlorophenyl)propanamide
CID 19221190
N-[3-[3-(4-aminophenyl)propanoylamino]phenyl]-4-tert-butylbenzamide
CID 54795397

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-tert-butylphenyl)propanoylamino]-N-cyclopropylbenzamide?
The IUPAC name of 3-[3-(4-tert-butylphenyl)propanoylamino]-N-cyclopropylbenzamide (CID 46698713) is 3-[3-(4-tert-butylphenyl)propanoylamino]-N-cyclopropylbenzamide.
What is the SMILES notation for 3-[3-(4-tert-butylphenyl)propanoylamino]-N-cyclopropylbenzamide?
The canonical SMILES for 3-[3-(4-tert-butylphenyl)propanoylamino]-N-cyclopropylbenzamide is CC(C)(C)c1ccc(CCC(=O)Nc2cccc(C(=O)NC3CC3)c2)cc1.
What is the InChIKey of 3-[3-(4-tert-butylphenyl)propanoylamino]-N-cyclopropylbenzamide?
The InChIKey is FQKVPFUSKOIZPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O2/c1-23(2,3)18-10-7-16(8-11-18)9-14-21(26)24-20-6-4-5-17(15-20)22(27)25-19-12-13-19/h4-8,10-11,15,19H,9,12-14H2,1-3H3,(H,24,26)(H,25,27).
What are the key properties of 3-[3-(4-tert-butylphenyl)propanoylamino]-N-cyclopropylbenzamide?
3-[3-(4-tert-butylphenyl)propanoylamino]-N-cyclopropylbenzamide has a molecular weight of 364.49 g/mol, XLogP of 4.45, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-tert-butylphenyl)propanoylamino]-N-cyclopropylbenzamide is sourced from PubChem (CID 46698713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).