N-[3-[3-(4-tert-butylphenyl)propanoylamino]phenyl]cyclopropanecarboxamide

C23H28N2O2 — CID 55573150

IUPACN-[3-[3-(4-tert-butylphenyl)propanoylamino]phenyl]cyclopropanecarboxamide
SMILESCC(C)(C)c1ccc(CCC(=O)Nc2cccc(NC(=O)C3CC3)c2)cc1
InChIInChI=1S/C23H28N2O2/c1-23(2,3)18-12-7-16(8-13-18)9-14-21(26)24-19-5-4-6-20(15-19)25-22(27)17-10-11-17/h4-8,12-13,15,17H,9-11,14H2,1-3H3,(H,24,26)(H,25,27)
InChIKeyJDYWFRDCALZRGO-UHFFFAOYSA-N
MW364.49 g/mol
LogP4.90
Rot. Bonds6

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

N-[3-[3-(4-tert-butylphenyl)propanoylamino]phenyl]cyclopropanecarboxamide (PubChem CID 55573150) has the molecular formula C23H28N2O2 and a molecular weight of 364.49 g/mol. Its IUPAC name is N-[3-[3-(4-tert-butylphenyl)propanoylamino]phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[3-[3-(4-tert-butylphenyl)propanoylamino]phenyl]cyclopropanecarboxamide
PubChem CID55573150
Molecular FormulaC23H28N2O2
Molecular Weight364.49 g/mol
Exact Mass364.22
IUPAC NameN-[3-[3-(4-tert-butylphenyl)propanoylamino]phenyl]cyclopropanecarboxamide
SMILESCC(C)(C)c1ccc(CCC(=O)Nc2cccc(NC(=O)C3CC3)c2)cc1
InChIInChI=1S/C23H28N2O2/c1-23(2,3)18-12-7-16(8-13-18)9-14-21(26)24-19-5-4-6-20(15-19)25-22(27)17-10-11-17/h4-8,12-13,15,17H,9-11,14H2,1-3H3,(H,24,26)(H,25,27)
InChIKeyJDYWFRDCALZRGO-UHFFFAOYSA-N
XLogP4.90
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 ≤ 54.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-(3-phenylpropanoylamino)phenyl]cyclohexanecarboxamide
CID 17222847
N-(3-bromophenyl)-3-(4-tert-butylphenyl)propanamide
CID 19221197
3-(4-tert-butylphenyl)-N-(3-chlorophenyl)propanamide
CID 19221190
3-[3-(4-tert-butylphenyl)propanoylamino]-N-cyclopropylbenzamide
CID 46698713
N-[3-(butanoylamino)phenyl]cyclopropanecarboxamide
CID 17187554
4-tert-butyl-N-[3-[3-(4-methylphenyl)propanoylamino]phenyl]benzamide
CID 92681733
N-[3-[3-(4-aminophenyl)propanoylamino]phenyl]-4-tert-butylbenzamide
CID 54795397
4-[3-[4-(cyclopropanecarbonylamino)anilino]-3-oxopropyl]benzoic acid
CID 119180032
N-[3-[[3-(4-ethylphenyl)propanoylamino]methyl]phenyl]cyclopropanecarboxamide
CID 46420384
4-tert-butyl-N-[3-[3-(4-methoxyphenyl)propanoylamino]phenyl]benzamide
CID 100591859
N-[3-[3-(ethylamino)propanoylamino]phenyl]cyclopropanecarboxamide
CID 62836488
N-[3-(butanoylamino)phenyl]cyclopentanecarboxamide
CID 47309445

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-(4-tert-butylphenyl)propanoylamino]phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[3-[3-(4-tert-butylphenyl)propanoylamino]phenyl]cyclopropanecarboxamide (CID 55573150) is N-[3-[3-(4-tert-butylphenyl)propanoylamino]phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[3-[3-(4-tert-butylphenyl)propanoylamino]phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[3-[3-(4-tert-butylphenyl)propanoylamino]phenyl]cyclopropanecarboxamide is CC(C)(C)c1ccc(CCC(=O)Nc2cccc(NC(=O)C3CC3)c2)cc1.
What is the InChIKey of N-[3-[3-(4-tert-butylphenyl)propanoylamino]phenyl]cyclopropanecarboxamide?
The InChIKey is JDYWFRDCALZRGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O2/c1-23(2,3)18-12-7-16(8-13-18)9-14-21(26)24-19-5-4-6-20(15-19)25-22(27)17-10-11-17/h4-8,12-13,15,17H,9-11,14H2,1-3H3,(H,24,26)(H,25,27).
What are the key properties of N-[3-[3-(4-tert-butylphenyl)propanoylamino]phenyl]cyclopropanecarboxamide?
N-[3-[3-(4-tert-butylphenyl)propanoylamino]phenyl]cyclopropanecarboxamide has a molecular weight of 364.49 g/mol, XLogP of 4.90, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-(4-tert-butylphenyl)propanoylamino]phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 55573150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).