N,N-diethyl-3-(1-hydroxyethyl)-5-methoxyindole-1-carboxamide

C16H22N2O3 — CID 138973720

IUPACN,N-diethyl-3-(1-hydroxyethyl)-5-methoxyindole-1-carboxamide
SMILESCCN(CC)C(=O)n1cc(C(C)O)c2cc(OC)ccc21
InChIInChI=1S/C16H22N2O3/c1-5-17(6-2)16(20)18-10-14(11(3)19)13-9-12(21-4)7-8-15(13)18/h7-11,19H,5-6H2,1-4H3
InChIKeyGLXNAEBMHPDULV-UHFFFAOYSA-N
MW290.36 g/mol
LogP3.01
Rot. Bonds4

About N,N-diethyl-3-(1-hydroxyethyl)-5-methoxyindole-1-carboxamide

N,N-diethyl-3-(1-hydroxyethyl)-5-methoxyindole-1-carboxamide (PubChem CID 138973720) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is N,N-diethyl-3-(1-hydroxyethyl)-5-methoxyindole-1-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-3-(1-hydroxyethyl)-5-methoxyindole-1-carboxamide
PubChem CID138973720
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC NameN,N-diethyl-3-(1-hydroxyethyl)-5-methoxyindole-1-carboxamide
SMILESCCN(CC)C(=O)n1cc(C(C)O)c2cc(OC)ccc21
InChIInChI=1S/C16H22N2O3/c1-5-17(6-2)16(20)18-10-14(11(3)19)13-9-12(21-4)7-8-15(13)18/h7-11,19H,5-6H2,1-4H3
InChIKeyGLXNAEBMHPDULV-UHFFFAOYSA-N
XLogP3.01
TPSA54.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-methoxy-1-propylindol-3-yl)ethanol
CID 83944528
1-[3-[(1S)-1-azido-2-hydroxyethyl]-5-methoxyindol-1-yl]ethanone
CID 101356896
2-(5-methoxy-1-propan-2-ylindol-3-yl)propanoic acid
CID 117121168
1-(2-chloro-1-ethyl-5-methoxyindol-3-yl)ethanol
CID 82268873
1-acetyl-N-butan-2-yl-5-methoxyindole-3-carboxamide
CID 113212691
2-(1-ethyl-6-methoxyindol-3-yl)propanoic acid
CID 117122339
bis[3-[2-(dimethylamino)ethyl]-5-methoxyindol-1-yl]methanone
CID 166467355
2-amino-1-[3-[2-(dimethylamino)ethyl]-5-methoxyindol-1-yl]-3-methylbutan-1-one
CID 166467388
2-(1-ethyl-5-methoxyindol-3-yl)-2-oxo-N-propan-2-ylacetamide
CID 123864868
(2S)-2-(diethylamino)-1-(5-methoxyindol-1-yl)propan-1-one
CID 170000579
tert-butyl 3-[(2S)-2-aminopropyl]-5-methoxyindole-1-carboxylate
CID 153425987
2-(diethylamino)-2-(5-methoxy-1-methylindol-3-yl)acetonitrile
CID 84757475

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-(1-hydroxyethyl)-5-methoxyindole-1-carboxamide?
The IUPAC name of N,N-diethyl-3-(1-hydroxyethyl)-5-methoxyindole-1-carboxamide (CID 138973720) is N,N-diethyl-3-(1-hydroxyethyl)-5-methoxyindole-1-carboxamide.
What is the SMILES notation for N,N-diethyl-3-(1-hydroxyethyl)-5-methoxyindole-1-carboxamide?
The canonical SMILES for N,N-diethyl-3-(1-hydroxyethyl)-5-methoxyindole-1-carboxamide is CCN(CC)C(=O)n1cc(C(C)O)c2cc(OC)ccc21.
What is the InChIKey of N,N-diethyl-3-(1-hydroxyethyl)-5-methoxyindole-1-carboxamide?
The InChIKey is GLXNAEBMHPDULV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-5-17(6-2)16(20)18-10-14(11(3)19)13-9-12(21-4)7-8-15(13)18/h7-11,19H,5-6H2,1-4H3.
What are the key properties of N,N-diethyl-3-(1-hydroxyethyl)-5-methoxyindole-1-carboxamide?
N,N-diethyl-3-(1-hydroxyethyl)-5-methoxyindole-1-carboxamide has a molecular weight of 290.36 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-(1-hydroxyethyl)-5-methoxyindole-1-carboxamide is sourced from PubChem (CID 138973720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).