N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]-1H-indole-2-carboxamide

C21H24N2O3 — CID 9162190

IUPACN-[(1R)-1-(3,4-diethoxyphenyl)ethyl]-1H-indole-2-carboxamide
SMILESCCOc1ccc([C@@H](C)NC(=O)c2cc3ccccc3[nH]2)cc1OCC
InChIInChI=1S/C21H24N2O3/c1-4-25-19-11-10-15(13-20(19)26-5-2)14(3)22-21(24)18-12-16-8-6-7-9-17(16)23-18/h6-14,23H,4-5H2,1-3H3,(H,22,24)/t14-/m1/s1
InChIKeyHOPZBYCJHGJNJE-CQSZACIVSA-N
MW352.43 g/mol
LogP4.46
Rot. Bonds7

About N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]-1H-indole-2-carboxamide

N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]-1H-indole-2-carboxamide (PubChem CID 9162190) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-(3,4-diethoxyphenyl)ethyl]-1H-indole-2-carboxamide
PubChem CID9162190
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC NameN-[(1R)-1-(3,4-diethoxyphenyl)ethyl]-1H-indole-2-carboxamide
SMILESCCOc1ccc([C@@H](C)NC(=O)c2cc3ccccc3[nH]2)cc1OCC
InChIInChI=1S/C21H24N2O3/c1-4-25-19-11-10-15(13-20(19)26-5-2)14(3)22-21(24)18-12-16-8-6-7-9-17(16)23-18/h6-14,23H,4-5H2,1-3H3,(H,22,24)/t14-/m1/s1
InChIKeyHOPZBYCJHGJNJE-CQSZACIVSA-N
XLogP4.46
TPSA63.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-ethoxy-3-methoxyphenyl)ethyl]-5-fluoro-1H-indole-2-carboxamide
CID 46414828
N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-1H-indole-2-carboxamide
CID 55671575
N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-2-oxo-1H-quinoline-4-carboxamide
CID 2579582
N-[1-(4-aminophenyl)ethyl]-1H-indole-2-carboxamide
CID 116650098
N-[1-(1H-pyrazol-4-yl)ethyl]-1H-indole-2-carboxamide
CID 103856161
2,6-dichloro-N-[1-(3,4-diethoxyphenyl)ethyl]benzamide
CID 112791671
N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]-2-(trifluoromethyl)benzamide
CID 2573137
N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-2-phenylacetamide
CID 7311223
N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-3,5-dimethylbenzamide
CID 7936483
3,4-diethoxy-N-(1-phenylethyl)benzamide
CID 3369950
4-bromo-N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]benzamide
CID 2450618
N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]-3-iodobenzamide
CID 27136904

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]-1H-indole-2-carboxamide?
The IUPAC name of N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]-1H-indole-2-carboxamide (CID 9162190) is N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]-1H-indole-2-carboxamide.
What is the SMILES notation for N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]-1H-indole-2-carboxamide?
The canonical SMILES for N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]-1H-indole-2-carboxamide is CCOc1ccc([C@@H](C)NC(=O)c2cc3ccccc3[nH]2)cc1OCC.
What is the InChIKey of N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]-1H-indole-2-carboxamide?
The InChIKey is HOPZBYCJHGJNJE-CQSZACIVSA-N. The full InChI is InChI=1S/C21H24N2O3/c1-4-25-19-11-10-15(13-20(19)26-5-2)14(3)22-21(24)18-12-16-8-6-7-9-17(16)23-18/h6-14,23H,4-5H2,1-3H3,(H,22,24)/t14-/m1/s1.
What are the key properties of N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]-1H-indole-2-carboxamide?
N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]-1H-indole-2-carboxamide has a molecular weight of 352.43 g/mol, XLogP of 4.46, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 9162190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).