N-butan-2-yl-N-butyl-2,3-dihydro-1H-indole-3-carboxamide

C17H26N2O — CID 80565497

IUPACN-butan-2-yl-N-butyl-2,3-dihydro-1H-indole-3-carboxamide
SMILESCCCCN(C(=O)C1CNc2ccccc21)C(C)CC
InChIInChI=1S/C17H26N2O/c1-4-6-11-19(13(3)5-2)17(20)15-12-18-16-10-8-7-9-14(15)16/h7-10,13,15,18H,4-6,11-12H2,1-3H3
InChIKeyYPGTTYXIOLMSRP-UHFFFAOYSA-N
MW274.41 g/mol
LogP3.62
Rot. Bonds6

About N-butan-2-yl-N-butyl-2,3-dihydro-1H-indole-3-carboxamide

N-butan-2-yl-N-butyl-2,3-dihydro-1H-indole-3-carboxamide (PubChem CID 80565497) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is N-butan-2-yl-N-butyl-2,3-dihydro-1H-indole-3-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-N-butyl-2,3-dihydro-1H-indole-3-carboxamide
PubChem CID80565497
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC NameN-butan-2-yl-N-butyl-2,3-dihydro-1H-indole-3-carboxamide
SMILESCCCCN(C(=O)C1CNc2ccccc21)C(C)CC
InChIInChI=1S/C17H26N2O/c1-4-6-11-19(13(3)5-2)17(20)15-12-18-16-10-8-7-9-14(15)16/h7-10,13,15,18H,4-6,11-12H2,1-3H3
InChIKeyYPGTTYXIOLMSRP-UHFFFAOYSA-N
XLogP3.62
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Ropinirole
CID 5095
Oxindole
CID 321710
Ropinirole Hydrochloride
CID 68727
(3Z)-3-[[4-(dimethylamino)phenyl]methylidene]-1H-indol-2-one
CID 6450842
N-Methyloxindole
CID 6096
N-Ethyloxindole
CID 66135
3-Methyloxindole
CID 150923
3-(1,3-Dioxo-1,3-dihydro-isoindol-2-yl)-N-o-tolyl-propionamide
CID 721309
ML252
CID 26873419
3-Benzyl-1,3-dihydroindol-2-one
CID 347328
(3E)-3-(3-methylbut-2-enylidene)-1H-indol-2-one
CID 5319526
1H-Indole-3-acetonitrile, 2,3-dihydro-2-oxo-
CID 98365

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-N-butyl-2,3-dihydro-1H-indole-3-carboxamide?
The IUPAC name of N-butan-2-yl-N-butyl-2,3-dihydro-1H-indole-3-carboxamide (CID 80565497) is N-butan-2-yl-N-butyl-2,3-dihydro-1H-indole-3-carboxamide.
What is the SMILES notation for N-butan-2-yl-N-butyl-2,3-dihydro-1H-indole-3-carboxamide?
The canonical SMILES for N-butan-2-yl-N-butyl-2,3-dihydro-1H-indole-3-carboxamide is CCCCN(C(=O)C1CNc2ccccc21)C(C)CC.
What is the InChIKey of N-butan-2-yl-N-butyl-2,3-dihydro-1H-indole-3-carboxamide?
The InChIKey is YPGTTYXIOLMSRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-4-6-11-19(13(3)5-2)17(20)15-12-18-16-10-8-7-9-14(15)16/h7-10,13,15,18H,4-6,11-12H2,1-3H3.
What are the key properties of N-butan-2-yl-N-butyl-2,3-dihydro-1H-indole-3-carboxamide?
N-butan-2-yl-N-butyl-2,3-dihydro-1H-indole-3-carboxamide has a molecular weight of 274.41 g/mol, XLogP of 3.62, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-N-butyl-2,3-dihydro-1H-indole-3-carboxamide is sourced from PubChem (CID 80565497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).