N-[[3-(furan-2-ylmethoxy)-4-methoxyphenyl]methyl]-2-(1-methylpyrrol-3-yl)-N-(oxolan-2-ylmethyl)acetamide

C25H30N2O5 — CID 118754705

IUPACN-[[3-(furan-2-ylmethoxy)-4-methoxyphenyl]methyl]-2-(1-methylpyrrol-3-yl)-N-(oxolan-2-ylmethyl)acetamide
SMILESCOc1ccc(CN(CC2CCCO2)C(=O)Cc2ccn(C)c2)cc1OCc1ccco1
InChIInChI=1S/C25H30N2O5/c1-26-10-9-20(15-26)14-25(28)27(17-21-5-3-11-30-21)16-19-7-8-23(29-2)24(13-19)32-18-22-6-4-12-31-22/h4,6-10,12-13,15,21H,3,5,11,14,16-18H2,1-2H3
InChIKeyPAXSBTUNRLSEEC-UHFFFAOYSA-N
MW438.52 g/mol
LogP3.96
Rot. Bonds10

About N-[[3-(furan-2-ylmethoxy)-4-methoxyphenyl]methyl]-2-(1-methylpyrrol-3-yl)-N-(oxolan-2-ylmethyl)acetamide

N-[[3-(furan-2-ylmethoxy)-4-methoxyphenyl]methyl]-2-(1-methylpyrrol-3-yl)-N-(oxolan-2-ylmethyl)acetamide (PubChem CID 118754705) has the molecular formula C25H30N2O5 and a molecular weight of 438.52 g/mol. Its IUPAC name is N-[[3-(furan-2-ylmethoxy)-4-methoxyphenyl]methyl]-2-(1-methylpyrrol-3-yl)-N-(oxolan-2-ylmethyl)acetamide.

Molecular Properties

Compound NameN-[[3-(furan-2-ylmethoxy)-4-methoxyphenyl]methyl]-2-(1-methylpyrrol-3-yl)-N-(oxolan-2-ylmethyl)acetamide
PubChem CID118754705
Molecular FormulaC25H30N2O5
Molecular Weight438.52 g/mol
Exact Mass438.22
IUPAC NameN-[[3-(furan-2-ylmethoxy)-4-methoxyphenyl]methyl]-2-(1-methylpyrrol-3-yl)-N-(oxolan-2-ylmethyl)acetamide
SMILESCOc1ccc(CN(CC2CCCO2)C(=O)Cc2ccn(C)c2)cc1OCc1ccco1
InChIInChI=1S/C25H30N2O5/c1-26-10-9-20(15-26)14-25(28)27(17-21-5-3-11-30-21)16-19-7-8-23(29-2)24(13-19)32-18-22-6-4-12-31-22/h4,6-10,12-13,15,21H,3,5,11,14,16-18H2,1-2H3
InChIKeyPAXSBTUNRLSEEC-UHFFFAOYSA-N
XLogP3.96
TPSA66.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.52
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[3-(furan-2-ylmethoxy)-4-methoxyphenyl]methyl]-3-(3-methylpyrazol-1-yl)-N-[[(2S)-oxolan-2-yl]methyl]propanamide
CID 42368360
5-chloro-N-[[3-(furan-2-ylmethoxy)-4-methoxyphenyl]methyl]-3-methyl-N-(oxolan-2-ylmethyl)-1H-indole-2-carboxamide
CID 45241176
methyl 3-[[2-(3,4-dimethoxyphenyl)acetyl]-[[(2S)-oxolan-2-yl]methyl]amino]propanoate
CID 95769596
N-(furan-2-ylmethyl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-2-phenylacetamide
CID 42704323
2-(4-fluorophenyl)-N-[2-[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]-2-oxoethyl]-N-propylacetamide
CID 3963586
[5-[[3,3-dimethylbutanoyl-[[(2R)-oxolan-2-yl]methyl]amino]methyl]-2-methoxyphenyl] propane-2-sulfonate
CID 93301936
N-[(3,4-dimethoxyphenyl)methyl]-2-(3-oxo-1,4-benzoxazin-4-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 3224942
3,4-dimethoxy-N-[(3-methoxy-4-prop-2-enoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)benzamide
CID 24678698
N-[(3,4-dimethoxyphenyl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]-2-phenylbenzamide
CID 51687516
N-[[4-methoxy-3-[(3-methyloxetan-3-yl)methoxy]phenyl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]cyclopropanecarboxamide
CID 26397160
2-(1,3-dioxoisoindol-2-yl)-N-[(3-methoxy-4-prop-2-enoxyphenyl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 26084829
N-[[4-methoxy-3-[(3-methyloxetan-3-yl)methoxy]phenyl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]pent-4-enamide
CID 42499790

Frequently Asked Questions

What is the IUPAC name of N-[[3-(furan-2-ylmethoxy)-4-methoxyphenyl]methyl]-2-(1-methylpyrrol-3-yl)-N-(oxolan-2-ylmethyl)acetamide?
The IUPAC name of N-[[3-(furan-2-ylmethoxy)-4-methoxyphenyl]methyl]-2-(1-methylpyrrol-3-yl)-N-(oxolan-2-ylmethyl)acetamide (CID 118754705) is N-[[3-(furan-2-ylmethoxy)-4-methoxyphenyl]methyl]-2-(1-methylpyrrol-3-yl)-N-(oxolan-2-ylmethyl)acetamide.
What is the SMILES notation for N-[[3-(furan-2-ylmethoxy)-4-methoxyphenyl]methyl]-2-(1-methylpyrrol-3-yl)-N-(oxolan-2-ylmethyl)acetamide?
The canonical SMILES for N-[[3-(furan-2-ylmethoxy)-4-methoxyphenyl]methyl]-2-(1-methylpyrrol-3-yl)-N-(oxolan-2-ylmethyl)acetamide is COc1ccc(CN(CC2CCCO2)C(=O)Cc2ccn(C)c2)cc1OCc1ccco1.
What is the InChIKey of N-[[3-(furan-2-ylmethoxy)-4-methoxyphenyl]methyl]-2-(1-methylpyrrol-3-yl)-N-(oxolan-2-ylmethyl)acetamide?
The InChIKey is PAXSBTUNRLSEEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O5/c1-26-10-9-20(15-26)14-25(28)27(17-21-5-3-11-30-21)16-19-7-8-23(29-2)24(13-19)32-18-22-6-4-12-31-22/h4,6-10,12-13,15,21H,3,5,11,14,16-18H2,1-2H3.
What are the key properties of N-[[3-(furan-2-ylmethoxy)-4-methoxyphenyl]methyl]-2-(1-methylpyrrol-3-yl)-N-(oxolan-2-ylmethyl)acetamide?
N-[[3-(furan-2-ylmethoxy)-4-methoxyphenyl]methyl]-2-(1-methylpyrrol-3-yl)-N-(oxolan-2-ylmethyl)acetamide has a molecular weight of 438.52 g/mol, XLogP of 3.96, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(furan-2-ylmethoxy)-4-methoxyphenyl]methyl]-2-(1-methylpyrrol-3-yl)-N-(oxolan-2-ylmethyl)acetamide is sourced from PubChem (CID 118754705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).