N-(2-tert-butylphenyl)-1-(2,3-dihydroindole-1-carbonyl)cyclopropane-1-carboxamide

C23H26N2O2 — CID 108981061

IUPACN-(2-tert-butylphenyl)-1-(2,3-dihydroindole-1-carbonyl)cyclopropane-1-carboxamide
SMILESCC(C)(C)c1ccccc1NC(=O)C1(C(=O)N2CCc3ccccc32)CC1
InChIInChI=1S/C23H26N2O2/c1-22(2,3)17-9-5-6-10-18(17)24-20(26)23(13-14-23)21(27)25-15-12-16-8-4-7-11-19(16)25/h4-11H,12-15H2,1-3H3,(H,24,26)
InChIKeyDNDJTRWAGAAJEN-UHFFFAOYSA-N
MW362.47 g/mol
LogP4.29
Rot. Bonds3

About N-(2-tert-butylphenyl)-1-(2,3-dihydroindole-1-carbonyl)cyclopropane-1-carboxamide

N-(2-tert-butylphenyl)-1-(2,3-dihydroindole-1-carbonyl)cyclopropane-1-carboxamide (PubChem CID 108981061) has the molecular formula C23H26N2O2 and a molecular weight of 362.47 g/mol. Its IUPAC name is N-(2-tert-butylphenyl)-1-(2,3-dihydroindole-1-carbonyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(2-tert-butylphenyl)-1-(2,3-dihydroindole-1-carbonyl)cyclopropane-1-carboxamide
PubChem CID108981061
Molecular FormulaC23H26N2O2
Molecular Weight362.47 g/mol
Exact Mass362.20
IUPAC NameN-(2-tert-butylphenyl)-1-(2,3-dihydroindole-1-carbonyl)cyclopropane-1-carboxamide
SMILESCC(C)(C)c1ccccc1NC(=O)C1(C(=O)N2CCc3ccccc32)CC1
InChIInChI=1S/C23H26N2O2/c1-22(2,3)17-9-5-6-10-18(17)24-20(26)23(13-14-23)21(27)25-15-12-16-8-4-7-11-19(16)25/h4-11H,12-15H2,1-3H3,(H,24,26)
InChIKeyDNDJTRWAGAAJEN-UHFFFAOYSA-N
XLogP4.29
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

1-(2,3-dihydroindole-1-carbonyl)-N-(4-methylphenyl)cyclopropane-1-carboxamide
CID 108980844
N-(4-chloro-2-methylphenyl)-1-(3,4-dihydro-2H-quinoline-1-carbonyl)cyclopropane-1-carboxamide
CID 108981162
1-(2,3-dihydroindole-1-carbonyl)-N-[(2-methylphenyl)methyl]cyclopropane-1-carboxamide
CID 108974961
N-(2-tert-butylphenyl)-1-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)cyclopropane-1-carboxamide
CID 108978517
1-(2,3-dihydroindole-1-carbonyl)-N-(3-methoxyphenyl)cyclopropane-1-carboxamide
CID 108981079
1-(2,3-dihydroindole-1-carbonyl)-N-(1-phenylethyl)cyclopropane-1-carboxamide
CID 108975402
1-(2,3-dihydroindole-1-carbonyl)-N-[(2-methoxyphenyl)methyl]cyclopropane-1-carboxamide
CID 108976201
1-N'-(2-tert-butylphenyl)-1-N-cyclohexylcyclopropane-1,1-dicarboxamide
CID 108972233
N-(2-tert-butylphenyl)-2-(2,3-dihydroindol-1-yl)pyrimidine-5-carboxamide
CID 109266156
1-N'-(2-tert-butylphenyl)-1-N-(2-cyanophenyl)cyclopropane-1,1-dicarboxamide
CID 108982236
1-(2,3-dihydroindole-1-carbonyl)-N-(pyridin-3-ylmethyl)cyclopropane-1-carboxamide
CID 108976826
1-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(3-methoxypropyl)cyclopropane-1-carboxamide
CID 108972930

Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butylphenyl)-1-(2,3-dihydroindole-1-carbonyl)cyclopropane-1-carboxamide?
The IUPAC name of N-(2-tert-butylphenyl)-1-(2,3-dihydroindole-1-carbonyl)cyclopropane-1-carboxamide (CID 108981061) is N-(2-tert-butylphenyl)-1-(2,3-dihydroindole-1-carbonyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-(2-tert-butylphenyl)-1-(2,3-dihydroindole-1-carbonyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-(2-tert-butylphenyl)-1-(2,3-dihydroindole-1-carbonyl)cyclopropane-1-carboxamide is CC(C)(C)c1ccccc1NC(=O)C1(C(=O)N2CCc3ccccc32)CC1.
What is the InChIKey of N-(2-tert-butylphenyl)-1-(2,3-dihydroindole-1-carbonyl)cyclopropane-1-carboxamide?
The InChIKey is DNDJTRWAGAAJEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O2/c1-22(2,3)17-9-5-6-10-18(17)24-20(26)23(13-14-23)21(27)25-15-12-16-8-4-7-11-19(16)25/h4-11H,12-15H2,1-3H3,(H,24,26).
What are the key properties of N-(2-tert-butylphenyl)-1-(2,3-dihydroindole-1-carbonyl)cyclopropane-1-carboxamide?
N-(2-tert-butylphenyl)-1-(2,3-dihydroindole-1-carbonyl)cyclopropane-1-carboxamide has a molecular weight of 362.47 g/mol, XLogP of 4.29, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butylphenyl)-1-(2,3-dihydroindole-1-carbonyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 108981061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).