N-[4-(diethylamino)phenyl]-2-(2,3-dihydroindole-1-carbonyl)cyclopropane-1-carboxamide

C23H27N3O2 — CID 109141370

IUPACN-[4-(diethylamino)phenyl]-2-(2,3-dihydroindole-1-carbonyl)cyclopropane-1-carboxamide
SMILESCCN(CC)c1ccc(NC(=O)C2CC2C(=O)N2CCc3ccccc32)cc1
InChIInChI=1S/C23H27N3O2/c1-3-25(4-2)18-11-9-17(10-12-18)24-22(27)19-15-20(19)23(28)26-14-13-16-7-5-6-8-21(16)26/h5-12,19-20H,3-4,13-15H2,1-2H3,(H,24,27)
InChIKeyHYLYNFMTGDYKQO-UHFFFAOYSA-N
MW377.49 g/mol
LogP3.70
Rot. Bonds6

About N-[4-(diethylamino)phenyl]-2-(2,3-dihydroindole-1-carbonyl)cyclopropane-1-carboxamide

N-[4-(diethylamino)phenyl]-2-(2,3-dihydroindole-1-carbonyl)cyclopropane-1-carboxamide (PubChem CID 109141370) has the molecular formula C23H27N3O2 and a molecular weight of 377.49 g/mol. Its IUPAC name is N-[4-(diethylamino)phenyl]-2-(2,3-dihydroindole-1-carbonyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[4-(diethylamino)phenyl]-2-(2,3-dihydroindole-1-carbonyl)cyclopropane-1-carboxamide
PubChem CID109141370
Molecular FormulaC23H27N3O2
Molecular Weight377.49 g/mol
Exact Mass377.21
IUPAC NameN-[4-(diethylamino)phenyl]-2-(2,3-dihydroindole-1-carbonyl)cyclopropane-1-carboxamide
SMILESCCN(CC)c1ccc(NC(=O)C2CC2C(=O)N2CCc3ccccc32)cc1
InChIInChI=1S/C23H27N3O2/c1-3-25(4-2)18-11-9-17(10-12-18)24-22(27)19-15-20(19)23(28)26-14-13-16-7-5-6-8-21(16)26/h5-12,19-20H,3-4,13-15H2,1-2H3,(H,24,27)
InChIKeyHYLYNFMTGDYKQO-UHFFFAOYSA-N
XLogP3.70
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-(3,4-difluorophenyl)-2-(2,3-dihydroindole-1-carbonyl)cyclopropane-1-carboxamide
CID 109141406
2-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(4-fluorophenyl)cyclopropane-1-carboxamide
CID 109141427
N-[4-(diethylamino)phenyl]-2-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxamide
CID 109131939
N-[4-(diethylamino)phenyl]-2-(morpholine-4-carbonyl)cyclopropane-1-carboxamide
CID 109133406
2-(2,3-dihydroindole-1-carbonyl)-N-(2-methylphenyl)cyclopropane-1-carboxamide
CID 109140903
N-(3-acetamidophenyl)-2-(3,4-dihydro-2H-quinoline-1-carbonyl)cyclopropane-1-carboxamide
CID 109141456
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3,4-dihydro-2H-quinoline-1-carbonyl)cyclopropane-1-carboxamide
CID 109141468
N-[4-(diethylamino)phenyl]-3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropanamide
CID 108953408
methyl 2-[[2-(2,3-dihydroindole-1-carbonyl)cyclopropanecarbonyl]amino]benzoate
CID 109141365
[2-[4-(diethylamino)anilino]pyrimidin-5-yl]-(2,3-dihydroindol-1-yl)methanone
CID 109266112
N-[4-(diethylamino)phenyl]-3-(3,4-dihydro-2H-quinolin-1-yl)-2,2-dimethyl-3-oxopropanamide
CID 108967767
trans-(1R,2R)-2-(2,3-dihydroindole-1-carbonyl)cyclopropane-1-carboxylic acid
CID 7101559

Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylamino)phenyl]-2-(2,3-dihydroindole-1-carbonyl)cyclopropane-1-carboxamide?
The IUPAC name of N-[4-(diethylamino)phenyl]-2-(2,3-dihydroindole-1-carbonyl)cyclopropane-1-carboxamide (CID 109141370) is N-[4-(diethylamino)phenyl]-2-(2,3-dihydroindole-1-carbonyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-[4-(diethylamino)phenyl]-2-(2,3-dihydroindole-1-carbonyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-[4-(diethylamino)phenyl]-2-(2,3-dihydroindole-1-carbonyl)cyclopropane-1-carboxamide is CCN(CC)c1ccc(NC(=O)C2CC2C(=O)N2CCc3ccccc32)cc1.
What is the InChIKey of N-[4-(diethylamino)phenyl]-2-(2,3-dihydroindole-1-carbonyl)cyclopropane-1-carboxamide?
The InChIKey is HYLYNFMTGDYKQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O2/c1-3-25(4-2)18-11-9-17(10-12-18)24-22(27)19-15-20(19)23(28)26-14-13-16-7-5-6-8-21(16)26/h5-12,19-20H,3-4,13-15H2,1-2H3,(H,24,27).
What are the key properties of N-[4-(diethylamino)phenyl]-2-(2,3-dihydroindole-1-carbonyl)cyclopropane-1-carboxamide?
N-[4-(diethylamino)phenyl]-2-(2,3-dihydroindole-1-carbonyl)cyclopropane-1-carboxamide has a molecular weight of 377.49 g/mol, XLogP of 3.70, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylamino)phenyl]-2-(2,3-dihydroindole-1-carbonyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 109141370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).