4-[3-(furan-2-yl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-N-methylbutanamide

C20H25NO3 — CID 22133248

IUPAC4-[3-(furan-2-yl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-N-methylbutanamide
SMILESCNC(=O)CCCC1CC(c2ccco2)Cc2ccc(OC)cc21
InChIInChI=1S/C20H25NO3/c1-21-20(22)7-3-5-14-11-16(19-6-4-10-24-19)12-15-8-9-17(23-2)13-18(14)15/h4,6,8-10,13-14,16H,3,5,7,11-12H2,1-2H3,(H,21,22)
InChIKeyIVDRFMRKMDUTLQ-UHFFFAOYSA-N
MW327.42 g/mol
LogP4.02
Rot. Bonds6

About 4-[3-(furan-2-yl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-N-methylbutanamide

4-[3-(furan-2-yl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-N-methylbutanamide (PubChem CID 22133248) has the molecular formula C20H25NO3 and a molecular weight of 327.42 g/mol. Its IUPAC name is 4-[3-(furan-2-yl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-N-methylbutanamide.

Molecular Properties

Compound Name4-[3-(furan-2-yl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-N-methylbutanamide
PubChem CID22133248
Molecular FormulaC20H25NO3
Molecular Weight327.42 g/mol
Exact Mass327.18
IUPAC Name4-[3-(furan-2-yl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-N-methylbutanamide
SMILESCNC(=O)CCCC1CC(c2ccco2)Cc2ccc(OC)cc21
InChIInChI=1S/C20H25NO3/c1-21-20(22)7-3-5-14-11-16(19-6-4-10-24-19)12-15-8-9-17(23-2)13-18(14)15/h4,6,8-10,13-14,16H,3,5,7,11-12H2,1-2H3,(H,21,22)
InChIKeyIVDRFMRKMDUTLQ-UHFFFAOYSA-N
XLogP4.02
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.42
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-N-[2-(7-methoxy-3-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]acetamide
CID 44582885
N-[2-[(1S,3S)-7-methoxy-3-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]cyclobutanecarboxamide
CID 102013000
5-(2-amino-6-methoxy-2,3-dihydro-1H-inden-1-yl)pentanoic acid
CID 166125999
N-(furan-2-ylmethyl)-5-[(8R,9S,13S,14S,15R)-3-methoxy-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-15-yl]pentanamide
CID 11454039
N-[2-(2-benzyl-6-methoxy-2,3-dihydro-1H-inden-1-yl)ethyl]acetamide
CID 25270486
2-(furan-2-yl)-N-[2-(4-methoxyphenyl)ethyl]cyclopropane-1-carboxamide
CID 86851473
N-[2-[(1S)-6-methoxy-2,3-dihydro-1H-inden-1-yl]ethyl]-2-oxopropanamide
CID 142703369
(7-methoxynaphthalen-2-yl) 2-(furan-2-yl)cyclopropane-1-carboxylate
CID 71884345
trans-(2,5-dimethoxyphenyl)methyl (1S,2S)-2-(furan-2-yl)cyclopropane-1-carboxylate
CID 99588473
N-[2-[(1S)-6-methoxy-2,3-dihydro-1H-inden-1-yl]ethyl]-2-methylpropanamide
CID 54317020
(7S)-4-methoxybicyclo[4.2.0]octa-1(6),2,4-triene-7-carboxylate
CID 7055849
2-(tert-butylamino)-1-[(3R)-3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone
CID 39894420

Frequently Asked Questions

What is the IUPAC name of 4-[3-(furan-2-yl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-N-methylbutanamide?
The IUPAC name of 4-[3-(furan-2-yl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-N-methylbutanamide (CID 22133248) is 4-[3-(furan-2-yl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-N-methylbutanamide.
What is the SMILES notation for 4-[3-(furan-2-yl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-N-methylbutanamide?
The canonical SMILES for 4-[3-(furan-2-yl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-N-methylbutanamide is CNC(=O)CCCC1CC(c2ccco2)Cc2ccc(OC)cc21.
What is the InChIKey of 4-[3-(furan-2-yl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-N-methylbutanamide?
The InChIKey is IVDRFMRKMDUTLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO3/c1-21-20(22)7-3-5-14-11-16(19-6-4-10-24-19)12-15-8-9-17(23-2)13-18(14)15/h4,6,8-10,13-14,16H,3,5,7,11-12H2,1-2H3,(H,21,22).
What are the key properties of 4-[3-(furan-2-yl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-N-methylbutanamide?
4-[3-(furan-2-yl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-N-methylbutanamide has a molecular weight of 327.42 g/mol, XLogP of 4.02, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(furan-2-yl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-N-methylbutanamide is sourced from PubChem (CID 22133248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).