N-[[3-(furan-2-ylmethoxy)-4-methoxyphenyl]methyl]-3-(3-methylpyrazol-1-yl)-N-[[(2S)-oxolan-2-yl]methyl]propanamide

C25H31N3O5 — CID 42368360

IUPACN-[[3-(furan-2-ylmethoxy)-4-methoxyphenyl]methyl]-3-(3-methylpyrazol-1-yl)-N-[[(2S)-oxolan-2-yl]methyl]propanamide
SMILESCOc1ccc(CN(C[C@@H]2CCCO2)C(=O)CCn2ccc(C)n2)cc1OCc1ccco1
InChIInChI=1S/C25H31N3O5/c1-19-9-11-28(26-19)12-10-25(29)27(17-21-5-3-13-31-21)16-20-7-8-23(30-2)24(15-20)33-18-22-6-4-14-32-22/h4,6-9,11,14-15,21H,3,5,10,12-13,16-18H2,1-2H3/t21-/m0/s1
InChIKeyCMNADMDRYHYWKJ-NRFANRHFSA-N
MW453.54 g/mol
LogP3.97
Rot. Bonds11

About N-[[3-(furan-2-ylmethoxy)-4-methoxyphenyl]methyl]-3-(3-methylpyrazol-1-yl)-N-[[(2S)-oxolan-2-yl]methyl]propanamide

N-[[3-(furan-2-ylmethoxy)-4-methoxyphenyl]methyl]-3-(3-methylpyrazol-1-yl)-N-[[(2S)-oxolan-2-yl]methyl]propanamide (PubChem CID 42368360) has the molecular formula C25H31N3O5 and a molecular weight of 453.54 g/mol. Its IUPAC name is N-[[3-(furan-2-ylmethoxy)-4-methoxyphenyl]methyl]-3-(3-methylpyrazol-1-yl)-N-[[(2S)-oxolan-2-yl]methyl]propanamide.

Molecular Properties

Compound NameN-[[3-(furan-2-ylmethoxy)-4-methoxyphenyl]methyl]-3-(3-methylpyrazol-1-yl)-N-[[(2S)-oxolan-2-yl]methyl]propanamide
PubChem CID42368360
Molecular FormulaC25H31N3O5
Molecular Weight453.54 g/mol
Exact Mass453.23
IUPAC NameN-[[3-(furan-2-ylmethoxy)-4-methoxyphenyl]methyl]-3-(3-methylpyrazol-1-yl)-N-[[(2S)-oxolan-2-yl]methyl]propanamide
SMILESCOc1ccc(CN(C[C@@H]2CCCO2)C(=O)CCn2ccc(C)n2)cc1OCc1ccco1
InChIInChI=1S/C25H31N3O5/c1-19-9-11-28(26-19)12-10-25(29)27(17-21-5-3-13-31-21)16-20-7-8-23(30-2)24(15-20)33-18-22-6-4-14-32-22/h4,6-9,11,14-15,21H,3,5,10,12-13,16-18H2,1-2H3/t21-/m0/s1
InChIKeyCMNADMDRYHYWKJ-NRFANRHFSA-N
XLogP3.97
TPSA78.96 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.54
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-[[3-(furan-2-ylmethoxy)-4-methoxyphenyl]methyl]-2-(1-methylpyrrol-3-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 118754705
5-chloro-N-[[3-(furan-2-ylmethoxy)-4-methoxyphenyl]methyl]-3-methyl-N-(oxolan-2-ylmethyl)-1H-indole-2-carboxamide
CID 45241176
3-(3-methylpyrazol-1-yl)-N-[(7-methyl-2-thiophen-2-ylquinolin-3-yl)methyl]-N-(oxolan-2-ylmethyl)propanamide
CID 118757755
N-[[6-(dimethylamino)-[1,3]dioxolo[4,5-g]quinolin-7-yl]methyl]-3-(3-methylpyrazol-1-yl)-N-(oxolan-2-ylmethyl)propanamide
CID 56854668
N-[[4-methoxy-3-[(3-methyloxetan-3-yl)methoxy]phenyl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]pent-4-enamide
CID 42499790
N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-3-(furan-2-yl)propanamide
CID 78808448
methyl 3-[[2-(3,4-dimethoxyphenyl)acetyl]-[[(2S)-oxolan-2-yl]methyl]amino]propanoate
CID 95769596
N-[(3,4-dimethoxyphenyl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]-2-phenylbenzamide
CID 51687516
N-butyl-N-[2-[furan-2-ylmethyl-[[(2S)-oxolan-2-yl]methyl]amino]-2-oxoethyl]pentanamide
CID 93110010
[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
N-cyclopropyl-N-[2-[furan-2-ylmethyl-[[(2S)-oxolan-2-yl]methyl]amino]-2-oxoethyl]-4-methylbenzamide
CID 1058827

Frequently Asked Questions

What is the IUPAC name of N-[[3-(furan-2-ylmethoxy)-4-methoxyphenyl]methyl]-3-(3-methylpyrazol-1-yl)-N-[[(2S)-oxolan-2-yl]methyl]propanamide?
The IUPAC name of N-[[3-(furan-2-ylmethoxy)-4-methoxyphenyl]methyl]-3-(3-methylpyrazol-1-yl)-N-[[(2S)-oxolan-2-yl]methyl]propanamide (CID 42368360) is N-[[3-(furan-2-ylmethoxy)-4-methoxyphenyl]methyl]-3-(3-methylpyrazol-1-yl)-N-[[(2S)-oxolan-2-yl]methyl]propanamide.
What is the SMILES notation for N-[[3-(furan-2-ylmethoxy)-4-methoxyphenyl]methyl]-3-(3-methylpyrazol-1-yl)-N-[[(2S)-oxolan-2-yl]methyl]propanamide?
The canonical SMILES for N-[[3-(furan-2-ylmethoxy)-4-methoxyphenyl]methyl]-3-(3-methylpyrazol-1-yl)-N-[[(2S)-oxolan-2-yl]methyl]propanamide is COc1ccc(CN(C[C@@H]2CCCO2)C(=O)CCn2ccc(C)n2)cc1OCc1ccco1.
What is the InChIKey of N-[[3-(furan-2-ylmethoxy)-4-methoxyphenyl]methyl]-3-(3-methylpyrazol-1-yl)-N-[[(2S)-oxolan-2-yl]methyl]propanamide?
The InChIKey is CMNADMDRYHYWKJ-NRFANRHFSA-N. The full InChI is InChI=1S/C25H31N3O5/c1-19-9-11-28(26-19)12-10-25(29)27(17-21-5-3-13-31-21)16-20-7-8-23(30-2)24(15-20)33-18-22-6-4-14-32-22/h4,6-9,11,14-15,21H,3,5,10,12-13,16-18H2,1-2H3/t21-/m0/s1.
What are the key properties of N-[[3-(furan-2-ylmethoxy)-4-methoxyphenyl]methyl]-3-(3-methylpyrazol-1-yl)-N-[[(2S)-oxolan-2-yl]methyl]propanamide?
N-[[3-(furan-2-ylmethoxy)-4-methoxyphenyl]methyl]-3-(3-methylpyrazol-1-yl)-N-[[(2S)-oxolan-2-yl]methyl]propanamide has a molecular weight of 453.54 g/mol, XLogP of 3.97, 11 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(furan-2-ylmethoxy)-4-methoxyphenyl]methyl]-3-(3-methylpyrazol-1-yl)-N-[[(2S)-oxolan-2-yl]methyl]propanamide is sourced from PubChem (CID 42368360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).