N-(3-methylbutyl)-1-propanoyl-2,3-dihydroindole-2-carboxamide

C17H24N2O2 — CID 20954495

IUPACN-(3-methylbutyl)-1-propanoyl-2,3-dihydroindole-2-carboxamide
SMILESCCC(=O)N1c2ccccc2CC1C(=O)NCCC(C)C
InChIInChI=1S/C17H24N2O2/c1-4-16(20)19-14-8-6-5-7-13(14)11-15(19)17(21)18-10-9-12(2)3/h5-8,12,15H,4,9-11H2,1-3H3,(H,18,21)
InChIKeyBWARLPUCKQLGQN-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.52
Rot. Bonds5

About N-(3-methylbutyl)-1-propanoyl-2,3-dihydroindole-2-carboxamide

N-(3-methylbutyl)-1-propanoyl-2,3-dihydroindole-2-carboxamide (PubChem CID 20954495) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is N-(3-methylbutyl)-1-propanoyl-2,3-dihydroindole-2-carboxamide.

Molecular Properties

Compound NameN-(3-methylbutyl)-1-propanoyl-2,3-dihydroindole-2-carboxamide
PubChem CID20954495
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC NameN-(3-methylbutyl)-1-propanoyl-2,3-dihydroindole-2-carboxamide
SMILESCCC(=O)N1c2ccccc2CC1C(=O)NCCC(C)C
InChIInChI=1S/C17H24N2O2/c1-4-16(20)19-14-8-6-5-7-13(14)11-15(19)17(21)18-10-9-12(2)3/h5-8,12,15H,4,9-11H2,1-3H3,(H,18,21)
InChIKeyBWARLPUCKQLGQN-UHFFFAOYSA-N
XLogP2.52
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-methoxypropyl)-1-propanoyl-2,3-dihydroindole-2-carboxamide
CID 20954507
1-propanoyl-N-[3-(4-propylpiperazin-1-yl)propyl]-2,3-dihydroindole-2-carboxamide
CID 20954539
N-[2-[cyclohexyl(methyl)amino]ethyl]-1-propanoyl-2,3-dihydroindole-2-carboxamide
CID 20954540
N-[(4-methylsulfanylphenyl)methyl]-1-propanoyl-2,3-dihydroindole-2-carboxamide
CID 20954542
N-cycloheptyl-1-propanoyl-2,3-dihydroindole-2-carboxamide
CID 20954482
N-(3-methylbutyl)-2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoacetamide
CID 47333098
(2R)-N-[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]ethyl]-1-propanoyl-2,3-dihydroindole-2-carboxamide
CID 94853705
1-[2-(pyrrolidine-1-carbonyl)-2,3-dihydroindol-1-yl]propan-1-one
CID 20954459
1-acetyl-N-[2-(dimethylamino)ethyl]-2,3-dihydroindole-2-carboxamide
CID 53299064
N-ethyl-1-(2-thiophen-2-ylacetyl)-2,3-dihydroindole-2-carboxamide
CID 18588020
(2S)-1-[(2S)-2-aminobutanoyl]-N-(2,2,2-trifluoroethyl)-2,3-dihydroindole-2-carboxamide
CID 54268557
1-acetyl-N-[2-(2-methylphenyl)ethyl]-2,3-dihydroindole-2-carboxamide
CID 20954431

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-1-propanoyl-2,3-dihydroindole-2-carboxamide?
The IUPAC name of N-(3-methylbutyl)-1-propanoyl-2,3-dihydroindole-2-carboxamide (CID 20954495) is N-(3-methylbutyl)-1-propanoyl-2,3-dihydroindole-2-carboxamide.
What is the SMILES notation for N-(3-methylbutyl)-1-propanoyl-2,3-dihydroindole-2-carboxamide?
The canonical SMILES for N-(3-methylbutyl)-1-propanoyl-2,3-dihydroindole-2-carboxamide is CCC(=O)N1c2ccccc2CC1C(=O)NCCC(C)C.
What is the InChIKey of N-(3-methylbutyl)-1-propanoyl-2,3-dihydroindole-2-carboxamide?
The InChIKey is BWARLPUCKQLGQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-4-16(20)19-14-8-6-5-7-13(14)11-15(19)17(21)18-10-9-12(2)3/h5-8,12,15H,4,9-11H2,1-3H3,(H,18,21).
What are the key properties of N-(3-methylbutyl)-1-propanoyl-2,3-dihydroindole-2-carboxamide?
N-(3-methylbutyl)-1-propanoyl-2,3-dihydroindole-2-carboxamide has a molecular weight of 288.39 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-1-propanoyl-2,3-dihydroindole-2-carboxamide is sourced from PubChem (CID 20954495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).