N-benzyl-4-[(dimethylamino)methyl]-5-hydroxy-2-methyl-1H-indole-3-carboxamide

C20H23N3O2 — CID 70199870

IUPACN-benzyl-4-[(dimethylamino)methyl]-5-hydroxy-2-methyl-1H-indole-3-carboxamide
SMILESCc1[nH]c2ccc(O)c(CN(C)C)c2c1C(=O)NCc1ccccc1
InChIInChI=1S/C20H23N3O2/c1-13-18(20(25)21-11-14-7-5-4-6-8-14)19-15(12-23(2)3)17(24)10-9-16(19)22-13/h4-10,22,24H,11-12H2,1-3H3,(H,21,25)
InChIKeyOIALJFHBEOXQRD-UHFFFAOYSA-N
MW337.42 g/mol
LogP3.17
Rot. Bonds5

About N-benzyl-4-[(dimethylamino)methyl]-5-hydroxy-2-methyl-1H-indole-3-carboxamide

N-benzyl-4-[(dimethylamino)methyl]-5-hydroxy-2-methyl-1H-indole-3-carboxamide (PubChem CID 70199870) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is N-benzyl-4-[(dimethylamino)methyl]-5-hydroxy-2-methyl-1H-indole-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-4-[(dimethylamino)methyl]-5-hydroxy-2-methyl-1H-indole-3-carboxamide
PubChem CID70199870
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC NameN-benzyl-4-[(dimethylamino)methyl]-5-hydroxy-2-methyl-1H-indole-3-carboxamide
SMILESCc1[nH]c2ccc(O)c(CN(C)C)c2c1C(=O)NCc1ccccc1
InChIInChI=1S/C20H23N3O2/c1-13-18(20(25)21-11-14-7-5-4-6-8-14)19-15(12-23(2)3)17(24)10-9-16(19)22-13/h4-10,22,24H,11-12H2,1-3H3,(H,21,25)
InChIKeyOIALJFHBEOXQRD-UHFFFAOYSA-N
XLogP3.17
TPSA68.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-[(dimethylamino)methyl]-5-hydroxy-2-methyl-1H-indole-3-carboxamide?
The IUPAC name of N-benzyl-4-[(dimethylamino)methyl]-5-hydroxy-2-methyl-1H-indole-3-carboxamide (CID 70199870) is N-benzyl-4-[(dimethylamino)methyl]-5-hydroxy-2-methyl-1H-indole-3-carboxamide.
What is the SMILES notation for N-benzyl-4-[(dimethylamino)methyl]-5-hydroxy-2-methyl-1H-indole-3-carboxamide?
The canonical SMILES for N-benzyl-4-[(dimethylamino)methyl]-5-hydroxy-2-methyl-1H-indole-3-carboxamide is Cc1[nH]c2ccc(O)c(CN(C)C)c2c1C(=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-4-[(dimethylamino)methyl]-5-hydroxy-2-methyl-1H-indole-3-carboxamide?
The InChIKey is OIALJFHBEOXQRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-13-18(20(25)21-11-14-7-5-4-6-8-14)19-15(12-23(2)3)17(24)10-9-16(19)22-13/h4-10,22,24H,11-12H2,1-3H3,(H,21,25).
What are the key properties of N-benzyl-4-[(dimethylamino)methyl]-5-hydroxy-2-methyl-1H-indole-3-carboxamide?
N-benzyl-4-[(dimethylamino)methyl]-5-hydroxy-2-methyl-1H-indole-3-carboxamide has a molecular weight of 337.42 g/mol, XLogP of 3.17, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-[(dimethylamino)methyl]-5-hydroxy-2-methyl-1H-indole-3-carboxamide is sourced from PubChem (CID 70199870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).