3-methyl-N-[(1-propanoyl-2,3-dihydroindol-5-yl)methyl]butanamide

C17H24N2O2 — CID 53093588

IUPAC3-methyl-N-[(1-propanoyl-2,3-dihydroindol-5-yl)methyl]butanamide
SMILESCCC(=O)N1CCc2cc(CNC(=O)CC(C)C)ccc21
InChIInChI=1S/C17H24N2O2/c1-4-17(21)19-8-7-14-10-13(5-6-15(14)19)11-18-16(20)9-12(2)3/h5-6,10,12H,4,7-9,11H2,1-3H3,(H,18,20)
InChIKeyNWLWQTWNZLKIFN-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.65
Rot. Bonds5

About 3-methyl-N-[(1-propanoyl-2,3-dihydroindol-5-yl)methyl]butanamide

3-methyl-N-[(1-propanoyl-2,3-dihydroindol-5-yl)methyl]butanamide (PubChem CID 53093588) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 3-methyl-N-[(1-propanoyl-2,3-dihydroindol-5-yl)methyl]butanamide.

Molecular Properties

Compound Name3-methyl-N-[(1-propanoyl-2,3-dihydroindol-5-yl)methyl]butanamide
PubChem CID53093588
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name3-methyl-N-[(1-propanoyl-2,3-dihydroindol-5-yl)methyl]butanamide
SMILESCCC(=O)N1CCc2cc(CNC(=O)CC(C)C)ccc21
InChIInChI=1S/C17H24N2O2/c1-4-17(21)19-8-7-14-10-13(5-6-15(14)19)11-18-16(20)9-12(2)3/h5-6,10,12H,4,7-9,11H2,1-3H3,(H,18,20)
InChIKeyNWLWQTWNZLKIFN-UHFFFAOYSA-N
XLogP2.65
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 ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1-acetyl-2,3-dihydroindol-5-yl)methyl]-3-methylbutanamide
CID 53093528
1-[(1-propanoyl-2,3-dihydroindol-5-yl)methyl]-3-propan-2-ylurea
CID 53090025
1-[(2R)-butan-2-yl]-3-[(1-propanoyl-2,3-dihydroindol-5-yl)methyl]urea
CID 95074914
ethyl 2-[(1-propanoyl-2,3-dihydroindol-5-yl)methylcarbamoylamino]acetate
CID 53090008
N-[(1-propanoyl-2,3-dihydroindol-5-yl)methyl]furan-2-carboxamide
CID 53093574
N-[[1-(3-methylbutanoyl)-2,3-dihydroindol-5-yl]methyl]propane-1-sulfonamide
CID 53092613
2-chloro-N-[[1-(3-methylbutanoyl)-2,3-dihydroindol-5-yl]methyl]benzamide
CID 53093940
3,4,5-trimethoxy-N-[(1-propanoyl-2,3-dihydroindol-5-yl)methyl]benzamide
CID 53043786
ethyl 3-[(1-propanoyl-2,3-dihydroindol-5-yl)methylcarbamoylamino]propanoate
CID 53090031
N-[(1-propanoyl-2,3-dihydroindol-5-yl)methyl]propane-1-sulfonamide
CID 53092468
N-[[4-(diethylaminomethyl)phenyl]methyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide
CID 46490523
N-[[1-(3-methylbutanoyl)-3,4-dihydro-2H-quinolin-6-yl]methyl]-4-(trifluoromethyl)benzamide
CID 142580229

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(1-propanoyl-2,3-dihydroindol-5-yl)methyl]butanamide?
The IUPAC name of 3-methyl-N-[(1-propanoyl-2,3-dihydroindol-5-yl)methyl]butanamide (CID 53093588) is 3-methyl-N-[(1-propanoyl-2,3-dihydroindol-5-yl)methyl]butanamide.
What is the SMILES notation for 3-methyl-N-[(1-propanoyl-2,3-dihydroindol-5-yl)methyl]butanamide?
The canonical SMILES for 3-methyl-N-[(1-propanoyl-2,3-dihydroindol-5-yl)methyl]butanamide is CCC(=O)N1CCc2cc(CNC(=O)CC(C)C)ccc21.
What is the InChIKey of 3-methyl-N-[(1-propanoyl-2,3-dihydroindol-5-yl)methyl]butanamide?
The InChIKey is NWLWQTWNZLKIFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-4-17(21)19-8-7-14-10-13(5-6-15(14)19)11-18-16(20)9-12(2)3/h5-6,10,12H,4,7-9,11H2,1-3H3,(H,18,20).
What are the key properties of 3-methyl-N-[(1-propanoyl-2,3-dihydroindol-5-yl)methyl]butanamide?
3-methyl-N-[(1-propanoyl-2,3-dihydroindol-5-yl)methyl]butanamide has a molecular weight of 288.39 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(1-propanoyl-2,3-dihydroindol-5-yl)methyl]butanamide is sourced from PubChem (CID 53093588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).