1-[furan-2-ylmethyl-[(3-methoxyphenyl)methyl]amino]-2-methylbut-3-en-2-ol

C18H23NO3 — CID 42837646

IUPAC1-[furan-2-ylmethyl-[(3-methoxyphenyl)methyl]amino]-2-methylbut-3-en-2-ol
SMILESC=CC(C)(O)CN(Cc1cccc(OC)c1)Cc1ccco1
InChIInChI=1S/C18H23NO3/c1-4-18(2,20)14-19(13-17-9-6-10-22-17)12-15-7-5-8-16(11-15)21-3/h4-11,20H,1,12-14H2,2-3H3
InChIKeyMWTHENUVFFDWSS-UHFFFAOYSA-N
MW301.39 g/mol
LogP3.23
Rot. Bonds8

About 1-[furan-2-ylmethyl-[(3-methoxyphenyl)methyl]amino]-2-methylbut-3-en-2-ol

1-[furan-2-ylmethyl-[(3-methoxyphenyl)methyl]amino]-2-methylbut-3-en-2-ol (PubChem CID 42837646) has the molecular formula C18H23NO3 and a molecular weight of 301.39 g/mol. Its IUPAC name is 1-[furan-2-ylmethyl-[(3-methoxyphenyl)methyl]amino]-2-methylbut-3-en-2-ol.

Molecular Properties

Compound Name1-[furan-2-ylmethyl-[(3-methoxyphenyl)methyl]amino]-2-methylbut-3-en-2-ol
PubChem CID42837646
Molecular FormulaC18H23NO3
Molecular Weight301.39 g/mol
Exact Mass301.17
IUPAC Name1-[furan-2-ylmethyl-[(3-methoxyphenyl)methyl]amino]-2-methylbut-3-en-2-ol
SMILESC=CC(C)(O)CN(Cc1cccc(OC)c1)Cc1ccco1
InChIInChI=1S/C18H23NO3/c1-4-18(2,20)14-19(13-17-9-6-10-22-17)12-15-7-5-8-16(11-15)21-3/h4-11,20H,1,12-14H2,2-3H3
InChIKeyMWTHENUVFFDWSS-UHFFFAOYSA-N
XLogP3.23
TPSA45.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-[cyclopropyl-[(3-methoxyphenyl)methyl]amino]-2-methylbut-3-en-2-ol
CID 42837648
1-[benzyl-[(3-methoxyphenyl)methyl]amino]-3-(furan-2-ylmethoxy)propan-2-ol
CID 46007135
1-[(3,5-dimethoxyphenyl)methyl-(3-methylbutyl)amino]-2-methylbut-3-en-2-ol
CID 42837575
1-(furan-2-ylmethoxy)-3-[(3-methoxyphenyl)methyl-propylamino]propan-2-ol
CID 24714073
4-[furan-2-ylmethyl-[(3-methoxyphenyl)methyl]sulfamoyl]benzoic acid
CID 23857762
N'-[(3-chlorophenyl)methyl]-N'-(furan-2-ylmethyl)-2,2-dimethylpropane-1,3-diamine
CID 23935795
1-(furan-2-ylmethoxy)-3-[2-methoxyethyl-[(3-methoxyphenyl)methyl]amino]propan-2-ol
CID 24713597
N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-2-(3-methoxyphenyl)acetamide
CID 78798540
N-(furan-2-ylmethyl)-2-[(3-methoxyphenyl)methyl-methylamino]acetamide
CID 26517921
2-(furan-2-ylmethyl)-3-(3-methoxyphenyl)propan-1-ol
CID 66058670
3-[5-[[furan-2-ylmethyl-[(3-methylphenyl)methyl]amino]methyl]furan-2-yl]-2,4-dimethylpenta-1,4-dien-3-ol
CID 42839392
2-methyl-1-[(3-methylphenyl)methyl-(oxolan-2-ylmethyl)amino]but-3-en-2-ol
CID 24714217

Frequently Asked Questions

What is the IUPAC name of 1-[furan-2-ylmethyl-[(3-methoxyphenyl)methyl]amino]-2-methylbut-3-en-2-ol?
The IUPAC name of 1-[furan-2-ylmethyl-[(3-methoxyphenyl)methyl]amino]-2-methylbut-3-en-2-ol (CID 42837646) is 1-[furan-2-ylmethyl-[(3-methoxyphenyl)methyl]amino]-2-methylbut-3-en-2-ol.
What is the SMILES notation for 1-[furan-2-ylmethyl-[(3-methoxyphenyl)methyl]amino]-2-methylbut-3-en-2-ol?
The canonical SMILES for 1-[furan-2-ylmethyl-[(3-methoxyphenyl)methyl]amino]-2-methylbut-3-en-2-ol is C=CC(C)(O)CN(Cc1cccc(OC)c1)Cc1ccco1.
What is the InChIKey of 1-[furan-2-ylmethyl-[(3-methoxyphenyl)methyl]amino]-2-methylbut-3-en-2-ol?
The InChIKey is MWTHENUVFFDWSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO3/c1-4-18(2,20)14-19(13-17-9-6-10-22-17)12-15-7-5-8-16(11-15)21-3/h4-11,20H,1,12-14H2,2-3H3.
What are the key properties of 1-[furan-2-ylmethyl-[(3-methoxyphenyl)methyl]amino]-2-methylbut-3-en-2-ol?
1-[furan-2-ylmethyl-[(3-methoxyphenyl)methyl]amino]-2-methylbut-3-en-2-ol has a molecular weight of 301.39 g/mol, XLogP of 3.23, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[furan-2-ylmethyl-[(3-methoxyphenyl)methyl]amino]-2-methylbut-3-en-2-ol is sourced from PubChem (CID 42837646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).