1-propanoyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-2,3-dihydroindole-5-carboxamide

C22H24N2O2 — CID 51958924

IUPAC1-propanoyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-2,3-dihydroindole-5-carboxamide
SMILESCCC(=O)N1CCc2cc(C(=O)N[C@H]3CCCc4ccccc43)ccc21
InChIInChI=1S/C22H24N2O2/c1-2-21(25)24-13-12-16-14-17(10-11-20(16)24)22(26)23-19-9-5-7-15-6-3-4-8-18(15)19/h3-4,6,8,10-11,14,19H,2,5,7,9,12-13H2,1H3,(H,23,26)/t19-/m0/s1
InChIKeyJIBNSEYKBWGMRK-IBGZPJMESA-N
MW348.45 g/mol
LogP3.79
Rot. Bonds3

About 1-propanoyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-2,3-dihydroindole-5-carboxamide

1-propanoyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-2,3-dihydroindole-5-carboxamide (PubChem CID 51958924) has the molecular formula C22H24N2O2 and a molecular weight of 348.45 g/mol. Its IUPAC name is 1-propanoyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-2,3-dihydroindole-5-carboxamide.

Molecular Properties

Compound Name1-propanoyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-2,3-dihydroindole-5-carboxamide
PubChem CID51958924
Molecular FormulaC22H24N2O2
Molecular Weight348.45 g/mol
Exact Mass348.18
IUPAC Name1-propanoyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-2,3-dihydroindole-5-carboxamide
SMILESCCC(=O)N1CCc2cc(C(=O)N[C@H]3CCCc4ccccc43)ccc21
InChIInChI=1S/C22H24N2O2/c1-2-21(25)24-13-12-16-14-17(10-11-20(16)24)22(26)23-19-9-5-7-15-6-3-4-8-18(15)19/h3-4,6,8,10-11,14,19H,2,5,7,9,12-13H2,1H3,(H,23,26)/t19-/m0/s1
InChIKeyJIBNSEYKBWGMRK-IBGZPJMESA-N
XLogP3.79
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-propanoyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-2,3-dihydroindole-5-carboxamide with MolForge

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Related Compounds

1-methylsulfonyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-2,3-dihydroindole-5-carboxamide
CID 8777525
N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]naphthalene-2-carboxamide
CID 7688440
3,5-dimethoxy-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 837268
3-nitro-4-piperidin-1-yl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 7891549
N-cyclohexyl-1-propanoyl-2,3-dihydroindole-6-carboxamide
CID 53014606
4-bromo-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 2450710
4-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzene-1,4-dicarboxamide
CID 42916066
4-piperidin-1-yl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 92679213
4-piperidin-1-yl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 92679214
2,3,4,5,6-pentafluoro-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 71474180
4-propan-2-yl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 2098930
4-(dimethylamino)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 4681400

Frequently Asked Questions

What is the IUPAC name of 1-propanoyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-2,3-dihydroindole-5-carboxamide?
The IUPAC name of 1-propanoyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-2,3-dihydroindole-5-carboxamide (CID 51958924) is 1-propanoyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-2,3-dihydroindole-5-carboxamide.
What is the SMILES notation for 1-propanoyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-2,3-dihydroindole-5-carboxamide?
The canonical SMILES for 1-propanoyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-2,3-dihydroindole-5-carboxamide is CCC(=O)N1CCc2cc(C(=O)N[C@H]3CCCc4ccccc43)ccc21.
What is the InChIKey of 1-propanoyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-2,3-dihydroindole-5-carboxamide?
The InChIKey is JIBNSEYKBWGMRK-IBGZPJMESA-N. The full InChI is InChI=1S/C22H24N2O2/c1-2-21(25)24-13-12-16-14-17(10-11-20(16)24)22(26)23-19-9-5-7-15-6-3-4-8-18(15)19/h3-4,6,8,10-11,14,19H,2,5,7,9,12-13H2,1H3,(H,23,26)/t19-/m0/s1.
What are the key properties of 1-propanoyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-2,3-dihydroindole-5-carboxamide?
1-propanoyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-2,3-dihydroindole-5-carboxamide has a molecular weight of 348.45 g/mol, XLogP of 3.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propanoyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-2,3-dihydroindole-5-carboxamide is sourced from PubChem (CID 51958924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).