1-acetyl-5-methoxy-N-(1-phenylethyl)indole-3-carboxamide

C20H20N2O3 — CID 113212714

IUPAC1-acetyl-5-methoxy-N-(1-phenylethyl)indole-3-carboxamide
SMILESCOc1ccc2c(c1)c(C(=O)NC(C)c1ccccc1)cn2C(C)=O
InChIInChI=1S/C20H20N2O3/c1-13(15-7-5-4-6-8-15)21-20(24)18-12-22(14(2)23)19-10-9-16(25-3)11-17(18)19/h4-13H,1-3H3,(H,21,24)
InChIKeyHTIHBSWJCQSGFS-UHFFFAOYSA-N
MW336.39 g/mol
LogP3.80
Rot. Bonds4

About 1-acetyl-5-methoxy-N-(1-phenylethyl)indole-3-carboxamide

1-acetyl-5-methoxy-N-(1-phenylethyl)indole-3-carboxamide (PubChem CID 113212714) has the molecular formula C20H20N2O3 and a molecular weight of 336.39 g/mol. Its IUPAC name is 1-acetyl-5-methoxy-N-(1-phenylethyl)indole-3-carboxamide.

Molecular Properties

Compound Name1-acetyl-5-methoxy-N-(1-phenylethyl)indole-3-carboxamide
PubChem CID113212714
Molecular FormulaC20H20N2O3
Molecular Weight336.39 g/mol
Exact Mass336.15
IUPAC Name1-acetyl-5-methoxy-N-(1-phenylethyl)indole-3-carboxamide
SMILESCOc1ccc2c(c1)c(C(=O)NC(C)c1ccccc1)cn2C(C)=O
InChIInChI=1S/C20H20N2O3/c1-13(15-7-5-4-6-8-15)21-20(24)18-12-22(14(2)23)19-10-9-16(25-3)11-17(18)19/h4-13H,1-3H3,(H,21,24)
InChIKeyHTIHBSWJCQSGFS-UHFFFAOYSA-N
XLogP3.80
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-acetyl-N-butan-2-yl-5-methoxyindole-3-carboxamide
CID 113212691
1-acetyl-5-methoxy-N-phenylindole-3-carboxamide
CID 113212768
1-acetyl-6-fluoro-N-(1-phenylethyl)indole-3-carboxamide
CID 113212889
1-ethyl-6-methoxy-4-oxo-N-[(1S)-1-phenylethyl]quinoline-3-carboxamide
CID 30132817
2,4-dimethoxy-N-[(1S)-1-phenylethyl]benzamide
CID 814199
1-acetyl-5-methoxy-N-(2-methyl-6-propan-2-ylphenyl)indole-3-carboxamide
CID 113212789
1-acetyl-N-(2,5-dimethoxyphenyl)-5-methoxyindole-3-carboxamide
CID 113212814
1-acetyl-N-benzyl-5-methoxy-N-propan-2-ylindole-3-carboxamide
CID 113212758
6-ethoxy-1-methyl-4-oxo-N-[(1R)-1-phenylethyl]quinoline-3-carboxamide
CID 30133856
1-acetyl-N-[1-(2-chlorophenyl)ethyl]indole-3-carboxamide
CID 175153955
N-[1-(4-bromophenyl)ethyl]-1-ethyl-6-methoxy-4-oxoquinoline-3-carboxamide
CID 43888757
2-chloro-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide
CID 976730

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-5-methoxy-N-(1-phenylethyl)indole-3-carboxamide?
The IUPAC name of 1-acetyl-5-methoxy-N-(1-phenylethyl)indole-3-carboxamide (CID 113212714) is 1-acetyl-5-methoxy-N-(1-phenylethyl)indole-3-carboxamide.
What is the SMILES notation for 1-acetyl-5-methoxy-N-(1-phenylethyl)indole-3-carboxamide?
The canonical SMILES for 1-acetyl-5-methoxy-N-(1-phenylethyl)indole-3-carboxamide is COc1ccc2c(c1)c(C(=O)NC(C)c1ccccc1)cn2C(C)=O.
What is the InChIKey of 1-acetyl-5-methoxy-N-(1-phenylethyl)indole-3-carboxamide?
The InChIKey is HTIHBSWJCQSGFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3/c1-13(15-7-5-4-6-8-15)21-20(24)18-12-22(14(2)23)19-10-9-16(25-3)11-17(18)19/h4-13H,1-3H3,(H,21,24).
What are the key properties of 1-acetyl-5-methoxy-N-(1-phenylethyl)indole-3-carboxamide?
1-acetyl-5-methoxy-N-(1-phenylethyl)indole-3-carboxamide has a molecular weight of 336.39 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-5-methoxy-N-(1-phenylethyl)indole-3-carboxamide is sourced from PubChem (CID 113212714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).