N-(2-aminoethyl)-N-(naphthalen-2-ylmethyl)-1H-indole-3-carboxamide

C22H21N3O — CID 10132207

IUPACN-(2-aminoethyl)-N-(naphthalen-2-ylmethyl)-1H-indole-3-carboxamide
SMILESNCCN(Cc1ccc2ccccc2c1)C(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C22H21N3O/c23-11-12-25(15-16-9-10-17-5-1-2-6-18(17)13-16)22(26)20-14-24-21-8-4-3-7-19(20)21/h1-10,13-14,24H,11-12,15,23H2
InChIKeyNOTXYWDYLWWZMC-UHFFFAOYSA-N
MW343.43 g/mol
LogP3.92
Rot. Bonds5

About N-(2-aminoethyl)-N-(naphthalen-2-ylmethyl)-1H-indole-3-carboxamide

N-(2-aminoethyl)-N-(naphthalen-2-ylmethyl)-1H-indole-3-carboxamide (PubChem CID 10132207) has the molecular formula C22H21N3O and a molecular weight of 343.43 g/mol. Its IUPAC name is N-(2-aminoethyl)-N-(naphthalen-2-ylmethyl)-1H-indole-3-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-N-(naphthalen-2-ylmethyl)-1H-indole-3-carboxamide
PubChem CID10132207
Molecular FormulaC22H21N3O
Molecular Weight343.43 g/mol
Exact Mass343.17
IUPAC NameN-(2-aminoethyl)-N-(naphthalen-2-ylmethyl)-1H-indole-3-carboxamide
SMILESNCCN(Cc1ccc2ccccc2c1)C(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C22H21N3O/c23-11-12-25(15-16-9-10-17-5-1-2-6-18(17)13-16)22(26)20-14-24-21-8-4-3-7-19(20)21/h1-10,13-14,24H,11-12,15,23H2
InChIKeyNOTXYWDYLWWZMC-UHFFFAOYSA-N
XLogP3.92
TPSA62.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2-naphthalen-2-yl-2-oxoethyl) 1H-indole-3-carboxylate
CID 27535021
N-(2-amino-2-oxoethyl)-N-butyl-1H-indole-3-carboxamide
CID 60958664
N-[2-(1H-indol-3-yl)ethyl]-N-[(4-methylphenyl)methyl]naphthalene-1-carboxamide
CID 1057302
N-ethyl-N-(thiophen-2-ylmethyl)-1H-indole-3-carboxamide
CID 60659716
N-[(3-bromophenyl)methyl]-N-methyl-1H-indole-3-carboxamide
CID 61042579
N-[[3-(aminomethyl)phenyl]methyl]-N-(cyclohexylmethyl)-2-(1H-indol-3-yl)-2-oxoacetamide
CID 45275125
2-fluoro-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-N-[(4-methoxyphenyl)methyl]benzamide
CID 42656999
2-chloro-N-[2-(1H-indol-3-yl)ethyl]-N-[(4-methylphenyl)methyl]benzamide
CID 1057301
N-(2-aminoethyl)-N-methyl-2-naphthalen-2-ylacetamide
CID 55149469
4-[[2-aminoethyl(naphthalen-2-ylmethyl)amino]methyl]phenol
CID 102493799
[2-(1H-indol-3-yl)-2-oxoethyl] 2-naphthalen-2-ylsulfanylacetate
CID 2122419
N-benzyl-N-ethyl-6-methoxy-1H-indole-3-carboxamide
CID 113206541

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-N-(naphthalen-2-ylmethyl)-1H-indole-3-carboxamide?
The IUPAC name of N-(2-aminoethyl)-N-(naphthalen-2-ylmethyl)-1H-indole-3-carboxamide (CID 10132207) is N-(2-aminoethyl)-N-(naphthalen-2-ylmethyl)-1H-indole-3-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-N-(naphthalen-2-ylmethyl)-1H-indole-3-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-N-(naphthalen-2-ylmethyl)-1H-indole-3-carboxamide is NCCN(Cc1ccc2ccccc2c1)C(=O)c1c[nH]c2ccccc12.
What is the InChIKey of N-(2-aminoethyl)-N-(naphthalen-2-ylmethyl)-1H-indole-3-carboxamide?
The InChIKey is NOTXYWDYLWWZMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O/c23-11-12-25(15-16-9-10-17-5-1-2-6-18(17)13-16)22(26)20-14-24-21-8-4-3-7-19(20)21/h1-10,13-14,24H,11-12,15,23H2.
What are the key properties of N-(2-aminoethyl)-N-(naphthalen-2-ylmethyl)-1H-indole-3-carboxamide?
N-(2-aminoethyl)-N-(naphthalen-2-ylmethyl)-1H-indole-3-carboxamide has a molecular weight of 343.43 g/mol, XLogP of 3.92, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-N-(naphthalen-2-ylmethyl)-1H-indole-3-carboxamide is sourced from PubChem (CID 10132207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).