3-(ethoxymethyl)-N-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]pyrrolidine-1-carboxamide

C20H30N2O3 — CID 75478677

IUPAC3-(ethoxymethyl)-N-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]pyrrolidine-1-carboxamide
SMILESCCOCC1CCN(C(=O)NCC2CCCc3cc(OC)ccc32)C1
InChIInChI=1S/C20H30N2O3/c1-3-25-14-15-9-10-22(13-15)20(23)21-12-17-6-4-5-16-11-18(24-2)7-8-19(16)17/h7-8,11,15,17H,3-6,9-10,12-14H2,1-2H3,(H,21,23)
InChIKeyOAGIIKKJBDXZBA-UHFFFAOYSA-N
MW346.47 g/mol
LogP3.18
Rot. Bonds6

About 3-(ethoxymethyl)-N-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]pyrrolidine-1-carboxamide

3-(ethoxymethyl)-N-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]pyrrolidine-1-carboxamide (PubChem CID 75478677) has the molecular formula C20H30N2O3 and a molecular weight of 346.47 g/mol. Its IUPAC name is 3-(ethoxymethyl)-N-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name3-(ethoxymethyl)-N-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]pyrrolidine-1-carboxamide
PubChem CID75478677
Molecular FormulaC20H30N2O3
Molecular Weight346.47 g/mol
Exact Mass346.23
IUPAC Name3-(ethoxymethyl)-N-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]pyrrolidine-1-carboxamide
SMILESCCOCC1CCN(C(=O)NCC2CCCc3cc(OC)ccc32)C1
InChIInChI=1S/C20H30N2O3/c1-3-25-14-15-9-10-22(13-15)20(23)21-12-17-6-4-5-16-11-18(24-2)7-8-19(16)17/h7-8,11,15,17H,3-6,9-10,12-14H2,1-2H3,(H,21,23)
InChIKeyOAGIIKKJBDXZBA-UHFFFAOYSA-N
XLogP3.18
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,3,3-trifluoro-N-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]propanamide
CID 86794394
4-N-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]benzene-1,4-dicarboxamide
CID 91648652
4-N-[[(1S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]benzene-1,4-dicarboxamide
CID 99640978
1-[(2R)-1-hydroxybutan-2-yl]-3-[[(1S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]urea
CID 97309468
(2R)-N-[[(1R)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide
CID 129382165
1-[2-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methylamino]-2-oxoethyl]cyclobutane-1-carboxylic acid
CID 120550930
N-[4-[[(1R)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methylamino]cyclohexyl]acetamide
CID 99635785
N-methoxy-2-[(1S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-N-methylacetamide
CID 97314076
(3R)-N-[(1R)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-1-methylpiperidine-3-carboxamide
CID 99970575
1-[[(1R)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]-3-[(1R,2S,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]urea
CID 98889561
1-[[(1S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]-3-[(1R,2R,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]urea
CID 98889556
1-[(2R)-2-(furan-2-yl)-2-hydroxyethyl]-3-[[(1S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]urea
CID 99638268

Frequently Asked Questions

What is the IUPAC name of 3-(ethoxymethyl)-N-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]pyrrolidine-1-carboxamide?
The IUPAC name of 3-(ethoxymethyl)-N-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]pyrrolidine-1-carboxamide (CID 75478677) is 3-(ethoxymethyl)-N-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for 3-(ethoxymethyl)-N-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]pyrrolidine-1-carboxamide?
The canonical SMILES for 3-(ethoxymethyl)-N-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]pyrrolidine-1-carboxamide is CCOCC1CCN(C(=O)NCC2CCCc3cc(OC)ccc32)C1.
What is the InChIKey of 3-(ethoxymethyl)-N-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]pyrrolidine-1-carboxamide?
The InChIKey is OAGIIKKJBDXZBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O3/c1-3-25-14-15-9-10-22(13-15)20(23)21-12-17-6-4-5-16-11-18(24-2)7-8-19(16)17/h7-8,11,15,17H,3-6,9-10,12-14H2,1-2H3,(H,21,23).
What are the key properties of 3-(ethoxymethyl)-N-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]pyrrolidine-1-carboxamide?
3-(ethoxymethyl)-N-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]pyrrolidine-1-carboxamide has a molecular weight of 346.47 g/mol, XLogP of 3.18, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethoxymethyl)-N-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 75478677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).