3-(2-ethylimidazol-1-yl)-N-[(1R)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide

C19H25N3O2 — CID 125176327

IUPAC3-(2-ethylimidazol-1-yl)-N-[(1R)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
SMILESCCc1nccn1CCC(=O)N[C@@H]1CCCc2cc(OC)ccc21
InChIInChI=1S/C19H25N3O2/c1-3-18-20-10-12-22(18)11-9-19(23)21-17-6-4-5-14-13-15(24-2)7-8-16(14)17/h7-8,10,12-13,17H,3-6,9,11H2,1-2H3,(H,21,23)/t17-/m1/s1
InChIKeyMPYHTABLCFQKBC-QGZVFWFLSA-N
MW327.43 g/mol
LogP3.04
Rot. Bonds6

About 3-(2-ethylimidazol-1-yl)-N-[(1R)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide

3-(2-ethylimidazol-1-yl)-N-[(1R)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide (PubChem CID 125176327) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is 3-(2-ethylimidazol-1-yl)-N-[(1R)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide.

Molecular Properties

Compound Name3-(2-ethylimidazol-1-yl)-N-[(1R)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
PubChem CID125176327
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name3-(2-ethylimidazol-1-yl)-N-[(1R)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
SMILESCCc1nccn1CCC(=O)N[C@@H]1CCCc2cc(OC)ccc21
InChIInChI=1S/C19H25N3O2/c1-3-18-20-10-12-22(18)11-9-19(23)21-17-6-4-5-14-13-15(24-2)7-8-16(14)17/h7-8,10,12-13,17H,3-6,9,11H2,1-2H3,(H,21,23)/t17-/m1/s1
InChIKeyMPYHTABLCFQKBC-QGZVFWFLSA-N
XLogP3.04
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,3-dihydro-1H-inden-1-yl)-3-(2-ethylimidazol-1-yl)propanamide
CID 131896789
4-chloro-N-[(1S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]butanamide
CID 129365353
N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-4-[(2-methylimidazol-1-yl)methyl]benzamide
CID 46766625
4-(4-methoxy-N-methylsulfonylanilino)-N-[(1S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]butanamide
CID 125063902
N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-2-morpholin-4-ylacetamide
CID 91793858
N-[(1R)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-1-methylpiperidine-4-carboxamide
CID 95706262
N-[6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-3-(2-oxo-1-pyridinyl)propanamide
CID 86872906
2-(2-chlorophenyl)-N-[(1S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 100633564
N-[(1R)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-2,2-dimethylpropanamide
CID 98004897
N-[(7S,8R)-8-(3,4-dimethoxyphenyl)-7-bicyclo[4.2.0]octanyl]-3-(2-ethylimidazol-1-yl)propanamide
CID 46955906
2-(2-ethyl-4-methyl-6-oxo-1H-pyrimidin-5-yl)-N-[(1R)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 136756312
4-(3,5-dimethyl-N-methylsulfonylanilino)-N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)butanamide
CID 133265367

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethylimidazol-1-yl)-N-[(1R)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide?
The IUPAC name of 3-(2-ethylimidazol-1-yl)-N-[(1R)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide (CID 125176327) is 3-(2-ethylimidazol-1-yl)-N-[(1R)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide.
What is the SMILES notation for 3-(2-ethylimidazol-1-yl)-N-[(1R)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide?
The canonical SMILES for 3-(2-ethylimidazol-1-yl)-N-[(1R)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide is CCc1nccn1CCC(=O)N[C@@H]1CCCc2cc(OC)ccc21.
What is the InChIKey of 3-(2-ethylimidazol-1-yl)-N-[(1R)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide?
The InChIKey is MPYHTABLCFQKBC-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-3-18-20-10-12-22(18)11-9-19(23)21-17-6-4-5-14-13-15(24-2)7-8-16(14)17/h7-8,10,12-13,17H,3-6,9,11H2,1-2H3,(H,21,23)/t17-/m1/s1.
What are the key properties of 3-(2-ethylimidazol-1-yl)-N-[(1R)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide?
3-(2-ethylimidazol-1-yl)-N-[(1R)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide has a molecular weight of 327.43 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethylimidazol-1-yl)-N-[(1R)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide is sourced from PubChem (CID 125176327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).