N-[3-(dimethylamino)propyl]-2-(2-methyl-2,3-dihydroindole-1-carbonyl)cyclopropane-1-carboxamide

C19H27N3O2 — CID 109134117

IUPACN-[3-(dimethylamino)propyl]-2-(2-methyl-2,3-dihydroindole-1-carbonyl)cyclopropane-1-carboxamide
SMILESCC1Cc2ccccc2N1C(=O)C1CC1C(=O)NCCCN(C)C
InChIInChI=1S/C19H27N3O2/c1-13-11-14-7-4-5-8-17(14)22(13)19(24)16-12-15(16)18(23)20-9-6-10-21(2)3/h4-5,7-8,13,15-16H,6,9-12H2,1-3H3,(H,20,23)
InChIKeySULPDPREQUMTET-UHFFFAOYSA-N
MW329.44 g/mol
LogP1.67
Rot. Bonds6

About N-[3-(dimethylamino)propyl]-2-(2-methyl-2,3-dihydroindole-1-carbonyl)cyclopropane-1-carboxamide

N-[3-(dimethylamino)propyl]-2-(2-methyl-2,3-dihydroindole-1-carbonyl)cyclopropane-1-carboxamide (PubChem CID 109134117) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-2-(2-methyl-2,3-dihydroindole-1-carbonyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-2-(2-methyl-2,3-dihydroindole-1-carbonyl)cyclopropane-1-carboxamide
PubChem CID109134117
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC NameN-[3-(dimethylamino)propyl]-2-(2-methyl-2,3-dihydroindole-1-carbonyl)cyclopropane-1-carboxamide
SMILESCC1Cc2ccccc2N1C(=O)C1CC1C(=O)NCCCN(C)C
InChIInChI=1S/C19H27N3O2/c1-13-11-14-7-4-5-8-17(14)22(13)19(24)16-12-15(16)18(23)20-9-6-10-21(2)3/h4-5,7-8,13,15-16H,6,9-12H2,1-3H3,(H,20,23)
InChIKeySULPDPREQUMTET-UHFFFAOYSA-N
XLogP1.67
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2-methyl-2,3-dihydroindole-1-carbonyl)-N-propylcyclopropane-1-carboxamide
CID 109130596
N-(3-methoxypropyl)-2-(2-methyl-2,3-dihydroindole-1-carbonyl)cyclopropane-1-carboxamide
CID 109133248
N-[3-(dimethylamino)propyl]-3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropanamide
CID 108944300
N-(1,3-benzodioxol-5-ylmethyl)-2-(2-methyl-2,3-dihydroindole-1-carbonyl)cyclopropane-1-carboxamide
CID 109136731
N,N-diethyl-2-(2-methyl-2,3-dihydroindole-1-carbonyl)cyclopropane-1-carboxamide
CID 109139390
N-(2,6-dichlorophenyl)-2-(2-methyl-2,3-dihydroindole-1-carbonyl)cyclopropane-1-carboxamide
CID 109144144
1-[3-(dimethylamino)propylcarbamoyl]-2,3-dihydroindole-2-carboxylic acid
CID 61190065
1-acetyl-N-[2-(dimethylamino)ethyl]-2,3-dihydroindole-2-carboxamide
CID 53299064
N-[2-(dimethylamino)ethyl]-2,2-dimethyl-3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropanamide
CID 108960333
N-(2,4-dimethoxyphenyl)-2-(2-methyl-2,3-dihydroindole-1-carbonyl)cyclopropane-1-carboxamide
CID 109143683
2-(2-methyl-2,3-dihydroindole-1-carbonyl)-N-(2-piperazin-1-ylethyl)cyclohexane-1-carboxamide
CID 119447503
2-N-[3-(dimethylamino)propyl]-1-N-[2-(2-fluorophenyl)ethyl]cyclopropane-1,2-dicarboxamide
CID 109133984

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-2-(2-methyl-2,3-dihydroindole-1-carbonyl)cyclopropane-1-carboxamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-2-(2-methyl-2,3-dihydroindole-1-carbonyl)cyclopropane-1-carboxamide (CID 109134117) is N-[3-(dimethylamino)propyl]-2-(2-methyl-2,3-dihydroindole-1-carbonyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-2-(2-methyl-2,3-dihydroindole-1-carbonyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-2-(2-methyl-2,3-dihydroindole-1-carbonyl)cyclopropane-1-carboxamide is CC1Cc2ccccc2N1C(=O)C1CC1C(=O)NCCCN(C)C.
What is the InChIKey of N-[3-(dimethylamino)propyl]-2-(2-methyl-2,3-dihydroindole-1-carbonyl)cyclopropane-1-carboxamide?
The InChIKey is SULPDPREQUMTET-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-13-11-14-7-4-5-8-17(14)22(13)19(24)16-12-15(16)18(23)20-9-6-10-21(2)3/h4-5,7-8,13,15-16H,6,9-12H2,1-3H3,(H,20,23).
What are the key properties of N-[3-(dimethylamino)propyl]-2-(2-methyl-2,3-dihydroindole-1-carbonyl)cyclopropane-1-carboxamide?
N-[3-(dimethylamino)propyl]-2-(2-methyl-2,3-dihydroindole-1-carbonyl)cyclopropane-1-carboxamide has a molecular weight of 329.44 g/mol, XLogP of 1.67, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-2-(2-methyl-2,3-dihydroindole-1-carbonyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 109134117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).