1-acetyl-N-[(1R,2R)-2-(3-ethoxyphenyl)cyclopropyl]-2,3-dihydroindole-5-carboxamide

C22H24N2O3 — CID 97258913

IUPAC1-acetyl-N-[(1R,2R)-2-(3-ethoxyphenyl)cyclopropyl]-2,3-dihydroindole-5-carboxamide
SMILESCCOc1cccc([C@H]2C[C@H]2NC(=O)c2ccc3c(c2)CCN3C(C)=O)c1
InChIInChI=1S/C22H24N2O3/c1-3-27-18-6-4-5-15(12-18)19-13-20(19)23-22(26)17-7-8-21-16(11-17)9-10-24(21)14(2)25/h4-8,11-12,19-20H,3,9-10,13H2,1-2H3,(H,23,26)/t19-,20-/m1/s1
InChIKeyIBPPUKHOZLIZNC-WOJBJXKFSA-N
MW364.45 g/mol
LogP3.28
Rot. Bonds5

About 1-acetyl-N-[(1R,2R)-2-(3-ethoxyphenyl)cyclopropyl]-2,3-dihydroindole-5-carboxamide

1-acetyl-N-[(1R,2R)-2-(3-ethoxyphenyl)cyclopropyl]-2,3-dihydroindole-5-carboxamide (PubChem CID 97258913) has the molecular formula C22H24N2O3 and a molecular weight of 364.45 g/mol. Its IUPAC name is 1-acetyl-N-[(1R,2R)-2-(3-ethoxyphenyl)cyclopropyl]-2,3-dihydroindole-5-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-[(1R,2R)-2-(3-ethoxyphenyl)cyclopropyl]-2,3-dihydroindole-5-carboxamide
PubChem CID97258913
Molecular FormulaC22H24N2O3
Molecular Weight364.45 g/mol
Exact Mass364.18
IUPAC Name1-acetyl-N-[(1R,2R)-2-(3-ethoxyphenyl)cyclopropyl]-2,3-dihydroindole-5-carboxamide
SMILESCCOc1cccc([C@H]2C[C@H]2NC(=O)c2ccc3c(c2)CCN3C(C)=O)c1
InChIInChI=1S/C22H24N2O3/c1-3-27-18-6-4-5-15(12-18)19-13-20(19)23-22(26)17-7-8-21-16(11-17)9-10-24(21)14(2)25/h4-8,11-12,19-20H,3,9-10,13H2,1-2H3,(H,23,26)/t19-,20-/m1/s1
InChIKeyIBPPUKHOZLIZNC-WOJBJXKFSA-N
XLogP3.28
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-acetyl-N-ethoxy-2,3-dihydroindole-5-carboxamide
CID 43048030
N-[(1S,2R)-2-(3-ethoxyphenyl)cyclopropyl]-3-(prop-2-ynylsulfamoyl)benzamide
CID 97258923
1-acetyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)-2,3-dihydroindole-5-carboxamide
CID 35997003
1-acetyl-N-(8-azabicyclo[3.2.1]octan-3-yl)-2,3-dihydroindole-5-carboxamide
CID 119260114
1-acetyl-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]-2,3-dihydroindole-5-carboxamide
CID 55803063
1-acetyl-N-(3-methylpiperidin-4-yl)-2,3-dihydroindole-5-carboxamide
CID 120557717
4-ethoxy-N-[(1S,2R)-2-(3-ethoxyphenyl)cyclopropyl]butanamide
CID 97258997
1-acetyl-N-[(2S)-pentan-2-yl]-2,3-dihydroindole-5-carboxamide
CID 30886490
1-acetyl-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2,3-dihydroindole-5-carboxamide
CID 24550296
1-acetyl-N-[(1R,2S)-2-methyl-2,3-dihydro-1H-inden-1-yl]-2,3-dihydroindole-5-carboxamide
CID 95620460
1-acetyl-N-[3-(2-ethoxyethoxymethyl)phenyl]-2,3-dihydroindole-5-carboxamide
CID 55806959
1-acetyl-N-hexyl-2,3-dihydroindole-5-carboxamide
CID 46538156

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-[(1R,2R)-2-(3-ethoxyphenyl)cyclopropyl]-2,3-dihydroindole-5-carboxamide?
The IUPAC name of 1-acetyl-N-[(1R,2R)-2-(3-ethoxyphenyl)cyclopropyl]-2,3-dihydroindole-5-carboxamide (CID 97258913) is 1-acetyl-N-[(1R,2R)-2-(3-ethoxyphenyl)cyclopropyl]-2,3-dihydroindole-5-carboxamide.
What is the SMILES notation for 1-acetyl-N-[(1R,2R)-2-(3-ethoxyphenyl)cyclopropyl]-2,3-dihydroindole-5-carboxamide?
The canonical SMILES for 1-acetyl-N-[(1R,2R)-2-(3-ethoxyphenyl)cyclopropyl]-2,3-dihydroindole-5-carboxamide is CCOc1cccc([C@H]2C[C@H]2NC(=O)c2ccc3c(c2)CCN3C(C)=O)c1.
What is the InChIKey of 1-acetyl-N-[(1R,2R)-2-(3-ethoxyphenyl)cyclopropyl]-2,3-dihydroindole-5-carboxamide?
The InChIKey is IBPPUKHOZLIZNC-WOJBJXKFSA-N. The full InChI is InChI=1S/C22H24N2O3/c1-3-27-18-6-4-5-15(12-18)19-13-20(19)23-22(26)17-7-8-21-16(11-17)9-10-24(21)14(2)25/h4-8,11-12,19-20H,3,9-10,13H2,1-2H3,(H,23,26)/t19-,20-/m1/s1.
What are the key properties of 1-acetyl-N-[(1R,2R)-2-(3-ethoxyphenyl)cyclopropyl]-2,3-dihydroindole-5-carboxamide?
1-acetyl-N-[(1R,2R)-2-(3-ethoxyphenyl)cyclopropyl]-2,3-dihydroindole-5-carboxamide has a molecular weight of 364.45 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-[(1R,2R)-2-(3-ethoxyphenyl)cyclopropyl]-2,3-dihydroindole-5-carboxamide is sourced from PubChem (CID 97258913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).