N-[(1S)-2-(dimethylamino)-1-phenylethyl]-6-methoxy-1H-indole-2-carboxamide

C20H23N3O2 — CID 39984120

IUPACN-[(1S)-2-(dimethylamino)-1-phenylethyl]-6-methoxy-1H-indole-2-carboxamide
SMILESCOc1ccc2cc(C(=O)N[C@H](CN(C)C)c3ccccc3)[nH]c2c1
InChIInChI=1S/C20H23N3O2/c1-23(2)13-19(14-7-5-4-6-8-14)22-20(24)18-11-15-9-10-16(25-3)12-17(15)21-18/h4-12,19,21H,13H2,1-3H3,(H,22,24)/t19-/m1/s1
InChIKeyAFOCHEBPWBNTFN-LJQANCHMSA-N
MW337.42 g/mol
LogP3.21
Rot. Bonds6

About N-[(1S)-2-(dimethylamino)-1-phenylethyl]-6-methoxy-1H-indole-2-carboxamide

N-[(1S)-2-(dimethylamino)-1-phenylethyl]-6-methoxy-1H-indole-2-carboxamide (PubChem CID 39984120) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is N-[(1S)-2-(dimethylamino)-1-phenylethyl]-6-methoxy-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[(1S)-2-(dimethylamino)-1-phenylethyl]-6-methoxy-1H-indole-2-carboxamide
PubChem CID39984120
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC NameN-[(1S)-2-(dimethylamino)-1-phenylethyl]-6-methoxy-1H-indole-2-carboxamide
SMILESCOc1ccc2cc(C(=O)N[C@H](CN(C)C)c3ccccc3)[nH]c2c1
InChIInChI=1S/C20H23N3O2/c1-23(2)13-19(14-7-5-4-6-8-14)22-20(24)18-11-15-9-10-16(25-3)12-17(15)21-18/h4-12,19,21H,13H2,1-3H3,(H,22,24)/t19-/m1/s1
InChIKeyAFOCHEBPWBNTFN-LJQANCHMSA-N
XLogP3.21
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2-(dimethylamino)-1-phenylethyl]-6-methoxy-1H-indole-2-carboxamide?
The IUPAC name of N-[(1S)-2-(dimethylamino)-1-phenylethyl]-6-methoxy-1H-indole-2-carboxamide (CID 39984120) is N-[(1S)-2-(dimethylamino)-1-phenylethyl]-6-methoxy-1H-indole-2-carboxamide.
What is the SMILES notation for N-[(1S)-2-(dimethylamino)-1-phenylethyl]-6-methoxy-1H-indole-2-carboxamide?
The canonical SMILES for N-[(1S)-2-(dimethylamino)-1-phenylethyl]-6-methoxy-1H-indole-2-carboxamide is COc1ccc2cc(C(=O)N[C@H](CN(C)C)c3ccccc3)[nH]c2c1.
What is the InChIKey of N-[(1S)-2-(dimethylamino)-1-phenylethyl]-6-methoxy-1H-indole-2-carboxamide?
The InChIKey is AFOCHEBPWBNTFN-LJQANCHMSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-23(2)13-19(14-7-5-4-6-8-14)22-20(24)18-11-15-9-10-16(25-3)12-17(15)21-18/h4-12,19,21H,13H2,1-3H3,(H,22,24)/t19-/m1/s1.
What are the key properties of N-[(1S)-2-(dimethylamino)-1-phenylethyl]-6-methoxy-1H-indole-2-carboxamide?
N-[(1S)-2-(dimethylamino)-1-phenylethyl]-6-methoxy-1H-indole-2-carboxamide has a molecular weight of 337.42 g/mol, XLogP of 3.21, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-2-(dimethylamino)-1-phenylethyl]-6-methoxy-1H-indole-2-carboxamide is sourced from PubChem (CID 39984120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).