N-[2-(dimethylamino)-1-phenylethyl]-3-ethyl-N-methyl-1H-indole-2-carboxamide

C22H27N3O — CID 74240091

IUPACN-[2-(dimethylamino)-1-phenylethyl]-3-ethyl-N-methyl-1H-indole-2-carboxamide
SMILESCCc1c(C(=O)N(C)C(CN(C)C)c2ccccc2)[nH]c2ccccc12
InChIInChI=1S/C22H27N3O/c1-5-17-18-13-9-10-14-19(18)23-21(17)22(26)25(4)20(15-24(2)3)16-11-7-6-8-12-16/h6-14,20,23H,5,15H2,1-4H3
InChIKeyIAKWOOJZAXYUCI-UHFFFAOYSA-N
MW349.48 g/mol
LogP4.11
Rot. Bonds6

About N-[2-(dimethylamino)-1-phenylethyl]-3-ethyl-N-methyl-1H-indole-2-carboxamide

N-[2-(dimethylamino)-1-phenylethyl]-3-ethyl-N-methyl-1H-indole-2-carboxamide (PubChem CID 74240091) has the molecular formula C22H27N3O and a molecular weight of 349.48 g/mol. Its IUPAC name is N-[2-(dimethylamino)-1-phenylethyl]-3-ethyl-N-methyl-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-1-phenylethyl]-3-ethyl-N-methyl-1H-indole-2-carboxamide
PubChem CID74240091
Molecular FormulaC22H27N3O
Molecular Weight349.48 g/mol
Exact Mass349.22
IUPAC NameN-[2-(dimethylamino)-1-phenylethyl]-3-ethyl-N-methyl-1H-indole-2-carboxamide
SMILESCCc1c(C(=O)N(C)C(CN(C)C)c2ccccc2)[nH]c2ccccc12
InChIInChI=1S/C22H27N3O/c1-5-17-18-13-9-10-14-19(18)23-21(17)22(26)25(4)20(15-24(2)3)16-11-7-6-8-12-16/h6-14,20,23H,5,15H2,1-4H3
InChIKeyIAKWOOJZAXYUCI-UHFFFAOYSA-N
XLogP4.11
TPSA39.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

N-[2-(dimethylamino)-1-phenylethyl]-N-methylbenzamide
CID 91054783
3-[2-(dimethylamino)-2-phenylethyl]-1H-indol-2-amine
CID 159837555
(1S)-N,N,N',N'-tetramethyl-1-phenylethane-1,2-diamine
CID 134927015
N-[(1R)-2-(dimethylamino)-1-phenylethyl]-N-methyl-6-oxo-2-phenyl-1H-pyrimidine-5-carboxamide
CID 97133707
3-ethyl-4-sulfanylidene-1H-quinoline-2-carboxylic acid
CID 145301705
2-[2-(2-methylpropanoyl)-1H-indol-3-yl]acetic acid
CID 54857086
3-[2-(butan-2-ylamino)-2-oxoethyl]-1H-indole-2-carboxylic acid
CID 3573688
1-(3-ethyl-1H-indol-2-yl)-N,N-dimethylmethanamine
CID 71197818
3-(methoxymethyl)-1H-indole-2-carboxylic acid
CID 54375862
3-ethyl-N-methyl-N-[(3-pyrazol-1-ylphenyl)methyl]-1H-indole-2-carboxamide
CID 70711091
ethyl 3-[2-(dimethylamino)ethyl]-1H-indole-2-carboxylate
CID 11747350
4-amino-3-[3-[2-(dimethylamino)propyl]-1H-indol-2-yl]-4-phenylbut-3-en-2-one
CID 70453546

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-1-phenylethyl]-3-ethyl-N-methyl-1H-indole-2-carboxamide?
The IUPAC name of N-[2-(dimethylamino)-1-phenylethyl]-3-ethyl-N-methyl-1H-indole-2-carboxamide (CID 74240091) is N-[2-(dimethylamino)-1-phenylethyl]-3-ethyl-N-methyl-1H-indole-2-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)-1-phenylethyl]-3-ethyl-N-methyl-1H-indole-2-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)-1-phenylethyl]-3-ethyl-N-methyl-1H-indole-2-carboxamide is CCc1c(C(=O)N(C)C(CN(C)C)c2ccccc2)[nH]c2ccccc12.
What is the InChIKey of N-[2-(dimethylamino)-1-phenylethyl]-3-ethyl-N-methyl-1H-indole-2-carboxamide?
The InChIKey is IAKWOOJZAXYUCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O/c1-5-17-18-13-9-10-14-19(18)23-21(17)22(26)25(4)20(15-24(2)3)16-11-7-6-8-12-16/h6-14,20,23H,5,15H2,1-4H3.
What are the key properties of N-[2-(dimethylamino)-1-phenylethyl]-3-ethyl-N-methyl-1H-indole-2-carboxamide?
N-[2-(dimethylamino)-1-phenylethyl]-3-ethyl-N-methyl-1H-indole-2-carboxamide has a molecular weight of 349.48 g/mol, XLogP of 4.11, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-1-phenylethyl]-3-ethyl-N-methyl-1H-indole-2-carboxamide is sourced from PubChem (CID 74240091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).