5-methyl-N-(1-naphthalen-1-ylethyl)-1H-indole-4-carboxamide

C22H20N2O — CID 174238306

IUPAC5-methyl-N-(1-naphthalen-1-ylethyl)-1H-indole-4-carboxamide
SMILESCc1ccc2[nH]ccc2c1C(=O)NC(C)c1cccc2ccccc12
InChIInChI=1S/C22H20N2O/c1-14-10-11-20-19(12-13-23-20)21(14)22(25)24-15(2)17-9-5-7-16-6-3-4-8-18(16)17/h3-13,15,23H,1-2H3,(H,24,25)
InChIKeyOTLVXCDATDPHKE-UHFFFAOYSA-N
MW328.42 g/mol
LogP5.12
Rot. Bonds3

About 5-methyl-N-(1-naphthalen-1-ylethyl)-1H-indole-4-carboxamide

5-methyl-N-(1-naphthalen-1-ylethyl)-1H-indole-4-carboxamide (PubChem CID 174238306) has the molecular formula C22H20N2O and a molecular weight of 328.42 g/mol. Its IUPAC name is 5-methyl-N-(1-naphthalen-1-ylethyl)-1H-indole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-N-(1-naphthalen-1-ylethyl)-1H-indole-4-carboxamide
PubChem CID174238306
Molecular FormulaC22H20N2O
Molecular Weight328.42 g/mol
Exact Mass328.16
IUPAC Name5-methyl-N-(1-naphthalen-1-ylethyl)-1H-indole-4-carboxamide
SMILESCc1ccc2[nH]ccc2c1C(=O)NC(C)c1cccc2ccccc12
InChIInChI=1S/C22H20N2O/c1-14-10-11-20-19(12-13-23-20)21(14)22(25)24-15(2)17-9-5-7-16-6-3-4-8-18(16)17/h3-13,15,23H,1-2H3,(H,24,25)
InChIKeyOTLVXCDATDPHKE-UHFFFAOYSA-N
XLogP5.12
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.42
LogP ≤ 55.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-(1-naphthalen-1-ylethyl)naphthalene-1-carboxamide
CID 593320
N'-(1-naphthalen-1-ylethyl)-N-[(1S)-1-naphthalen-1-ylethyl]oxamide
CID 90809930
2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]-5-phenylbenzamide
CID 165115788
N-(1-naphthalen-1-ylethyl)propanamide
CID 13202765
2-[[(1R)-1-naphthalen-1-ylethyl]carbamoyl]benzoic acid
CID 853685
5-methyl-N-[(1R)-1-naphthalen-1-ylethyl]thiophene-2-carboxamide
CID 27753913
5-(azetidin-3-yloxy)-N-[(1R)-1-(1H-indol-4-yl)ethyl]-2-methylbenzamide
CID 164866132
2-amino-N-[(1R)-1-naphthalen-1-ylethyl]benzamide
CID 131858457
N-(1-naphthalen-1-ylethyl)-2H-triazole-4-carboxamide
CID 112732639
3-methyl-N-[(1R)-1-naphthalen-1-ylethyl]-6-(piperidin-4-ylamino)pyridine-2-carboxamide;2,2,2-trifluoroacetic acid
CID 175710923
(2R)-2-[[(1R)-1-naphthalen-1-ylethyl]carbamoylamino]-2-phenylacetic acid
CID 14671446
2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide
CID 165116052

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(1-naphthalen-1-ylethyl)-1H-indole-4-carboxamide?
The IUPAC name of 5-methyl-N-(1-naphthalen-1-ylethyl)-1H-indole-4-carboxamide (CID 174238306) is 5-methyl-N-(1-naphthalen-1-ylethyl)-1H-indole-4-carboxamide.
What is the SMILES notation for 5-methyl-N-(1-naphthalen-1-ylethyl)-1H-indole-4-carboxamide?
The canonical SMILES for 5-methyl-N-(1-naphthalen-1-ylethyl)-1H-indole-4-carboxamide is Cc1ccc2[nH]ccc2c1C(=O)NC(C)c1cccc2ccccc12.
What is the InChIKey of 5-methyl-N-(1-naphthalen-1-ylethyl)-1H-indole-4-carboxamide?
The InChIKey is OTLVXCDATDPHKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O/c1-14-10-11-20-19(12-13-23-20)21(14)22(25)24-15(2)17-9-5-7-16-6-3-4-8-18(16)17/h3-13,15,23H,1-2H3,(H,24,25).
What are the key properties of 5-methyl-N-(1-naphthalen-1-ylethyl)-1H-indole-4-carboxamide?
5-methyl-N-(1-naphthalen-1-ylethyl)-1H-indole-4-carboxamide has a molecular weight of 328.42 g/mol, XLogP of 5.12, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(1-naphthalen-1-ylethyl)-1H-indole-4-carboxamide is sourced from PubChem (CID 174238306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).