(1S)-N-(4-acetamidophenyl)-1-(dimethylamino)-2,3-dihydroindene-1-carboxamide

C20H23N3O2 — CID 95145344

IUPAC(1S)-N-(4-acetamidophenyl)-1-(dimethylamino)-2,3-dihydroindene-1-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)[C@]2(N(C)C)CCc3ccccc32)cc1
InChIInChI=1S/C20H23N3O2/c1-14(24)21-16-8-10-17(11-9-16)22-19(25)20(23(2)3)13-12-15-6-4-5-7-18(15)20/h4-11H,12-13H2,1-3H3,(H,21,24)(H,22,25)/t20-/m0/s1
InChIKeyPJGWSVNHBIUISM-FQEVSTJZSA-N
MW337.42 g/mol
LogP2.99
Rot. Bonds4

About (1S)-N-(4-acetamidophenyl)-1-(dimethylamino)-2,3-dihydroindene-1-carboxamide

(1S)-N-(4-acetamidophenyl)-1-(dimethylamino)-2,3-dihydroindene-1-carboxamide (PubChem CID 95145344) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is (1S)-N-(4-acetamidophenyl)-1-(dimethylamino)-2,3-dihydroindene-1-carboxamide.

Molecular Properties

Compound Name(1S)-N-(4-acetamidophenyl)-1-(dimethylamino)-2,3-dihydroindene-1-carboxamide
PubChem CID95145344
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Name(1S)-N-(4-acetamidophenyl)-1-(dimethylamino)-2,3-dihydroindene-1-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)[C@]2(N(C)C)CCc3ccccc32)cc1
InChIInChI=1S/C20H23N3O2/c1-14(24)21-16-8-10-17(11-9-16)22-19(25)20(23(2)3)13-12-15-6-4-5-7-18(15)20/h4-11H,12-13H2,1-3H3,(H,21,24)(H,22,25)/t20-/m0/s1
InChIKeyPJGWSVNHBIUISM-FQEVSTJZSA-N
XLogP2.99
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1S)-N-(4-acetamidophenyl)-1-(dimethylamino)-2,3-dihydroindene-1-carboxamide?
The IUPAC name of (1S)-N-(4-acetamidophenyl)-1-(dimethylamino)-2,3-dihydroindene-1-carboxamide (CID 95145344) is (1S)-N-(4-acetamidophenyl)-1-(dimethylamino)-2,3-dihydroindene-1-carboxamide.
What is the SMILES notation for (1S)-N-(4-acetamidophenyl)-1-(dimethylamino)-2,3-dihydroindene-1-carboxamide?
The canonical SMILES for (1S)-N-(4-acetamidophenyl)-1-(dimethylamino)-2,3-dihydroindene-1-carboxamide is CC(=O)Nc1ccc(NC(=O)[C@]2(N(C)C)CCc3ccccc32)cc1.
What is the InChIKey of (1S)-N-(4-acetamidophenyl)-1-(dimethylamino)-2,3-dihydroindene-1-carboxamide?
The InChIKey is PJGWSVNHBIUISM-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-14(24)21-16-8-10-17(11-9-16)22-19(25)20(23(2)3)13-12-15-6-4-5-7-18(15)20/h4-11H,12-13H2,1-3H3,(H,21,24)(H,22,25)/t20-/m0/s1.
What are the key properties of (1S)-N-(4-acetamidophenyl)-1-(dimethylamino)-2,3-dihydroindene-1-carboxamide?
(1S)-N-(4-acetamidophenyl)-1-(dimethylamino)-2,3-dihydroindene-1-carboxamide has a molecular weight of 337.42 g/mol, XLogP of 2.99, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-(4-acetamidophenyl)-1-(dimethylamino)-2,3-dihydroindene-1-carboxamide is sourced from PubChem (CID 95145344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).