(2S)-N-ethyl-1-(2-naphthalen-2-yloxyacetyl)-2,3-dihydroindole-2-carboxamide

C23H22N2O3 — CID 41429074

IUPAC(2S)-N-ethyl-1-(2-naphthalen-2-yloxyacetyl)-2,3-dihydroindole-2-carboxamide
SMILESCCNC(=O)[C@@H]1Cc2ccccc2N1C(=O)COc1ccc2ccccc2c1
InChIInChI=1S/C23H22N2O3/c1-2-24-23(27)21-14-18-9-5-6-10-20(18)25(21)22(26)15-28-19-12-11-16-7-3-4-8-17(16)13-19/h3-13,21H,2,14-15H2,1H3,(H,24,27)/t21-/m0/s1
InChIKeyUNIGTDURPTVZEV-NRFANRHFSA-N
MW374.44 g/mol
LogP3.31
Rot. Bonds5

About (2S)-N-ethyl-1-(2-naphthalen-2-yloxyacetyl)-2,3-dihydroindole-2-carboxamide

(2S)-N-ethyl-1-(2-naphthalen-2-yloxyacetyl)-2,3-dihydroindole-2-carboxamide (PubChem CID 41429074) has the molecular formula C23H22N2O3 and a molecular weight of 374.44 g/mol. Its IUPAC name is (2S)-N-ethyl-1-(2-naphthalen-2-yloxyacetyl)-2,3-dihydroindole-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-ethyl-1-(2-naphthalen-2-yloxyacetyl)-2,3-dihydroindole-2-carboxamide
PubChem CID41429074
Molecular FormulaC23H22N2O3
Molecular Weight374.44 g/mol
Exact Mass374.16
IUPAC Name(2S)-N-ethyl-1-(2-naphthalen-2-yloxyacetyl)-2,3-dihydroindole-2-carboxamide
SMILESCCNC(=O)[C@@H]1Cc2ccccc2N1C(=O)COc1ccc2ccccc2c1
InChIInChI=1S/C23H22N2O3/c1-2-24-23(27)21-14-18-9-5-6-10-20(18)25(21)22(26)15-28-19-12-11-16-7-3-4-8-17(16)13-19/h3-13,21H,2,14-15H2,1H3,(H,24,27)/t21-/m0/s1
InChIKeyUNIGTDURPTVZEV-NRFANRHFSA-N
XLogP3.31
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-methyl-1-(2-naphthalen-2-yloxyacetyl)-2,3-dihydroindole-2-carboxamide
CID 41428946
(2R)-1-[2-(4-ethoxyphenoxy)acetyl]-N-methyl-2,3-dihydroindole-2-carboxamide
CID 41428952
2-(7-methoxynaphthalen-2-yl)oxy-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone
CID 7652721
methyl (2R)-1-[2-(4-bromophenoxy)acetyl]-2,3-dihydroindole-2-carboxylate
CID 52504702
N-ethyl-1-(2-thiophen-2-ylacetyl)-2,3-dihydroindole-2-carboxamide
CID 18588020
(2S)-1-[2-(4-ethoxyphenyl)acetyl]-N-methyl-2,3-dihydroindole-2-carboxamide
CID 41428965
N-(3-methoxypropyl)-1-propanoyl-2,3-dihydroindole-2-carboxamide
CID 20954507
2-(1,3-benzodioxol-5-yloxy)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone
CID 3878142
N-(3-methylbutyl)-1-propanoyl-2,3-dihydroindole-2-carboxamide
CID 20954495
N-[(4-methylsulfanylphenyl)methyl]-1-propanoyl-2,3-dihydroindole-2-carboxamide
CID 20954542
(2S)-1-(2-ethoxyacetyl)-2,3-dihydroindole-2-carboxylic acid
CID 28779680
2-(4-aminophenoxy)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone
CID 61027527

Frequently Asked Questions

What is the IUPAC name of (2S)-N-ethyl-1-(2-naphthalen-2-yloxyacetyl)-2,3-dihydroindole-2-carboxamide?
The IUPAC name of (2S)-N-ethyl-1-(2-naphthalen-2-yloxyacetyl)-2,3-dihydroindole-2-carboxamide (CID 41429074) is (2S)-N-ethyl-1-(2-naphthalen-2-yloxyacetyl)-2,3-dihydroindole-2-carboxamide.
What is the SMILES notation for (2S)-N-ethyl-1-(2-naphthalen-2-yloxyacetyl)-2,3-dihydroindole-2-carboxamide?
The canonical SMILES for (2S)-N-ethyl-1-(2-naphthalen-2-yloxyacetyl)-2,3-dihydroindole-2-carboxamide is CCNC(=O)[C@@H]1Cc2ccccc2N1C(=O)COc1ccc2ccccc2c1.
What is the InChIKey of (2S)-N-ethyl-1-(2-naphthalen-2-yloxyacetyl)-2,3-dihydroindole-2-carboxamide?
The InChIKey is UNIGTDURPTVZEV-NRFANRHFSA-N. The full InChI is InChI=1S/C23H22N2O3/c1-2-24-23(27)21-14-18-9-5-6-10-20(18)25(21)22(26)15-28-19-12-11-16-7-3-4-8-17(16)13-19/h3-13,21H,2,14-15H2,1H3,(H,24,27)/t21-/m0/s1.
What are the key properties of (2S)-N-ethyl-1-(2-naphthalen-2-yloxyacetyl)-2,3-dihydroindole-2-carboxamide?
(2S)-N-ethyl-1-(2-naphthalen-2-yloxyacetyl)-2,3-dihydroindole-2-carboxamide has a molecular weight of 374.44 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-ethyl-1-(2-naphthalen-2-yloxyacetyl)-2,3-dihydroindole-2-carboxamide is sourced from PubChem (CID 41429074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).