[(1S)-1-(furan-2-yl)ethyl]-[2-[(3-methoxy-4-phenylmethoxyphenyl)methylamino]-2-oxoethyl]azanium

C23H27N2O4+ — CID 8922456

IUPAC[(1S)-1-(furan-2-yl)ethyl]-[2-[(3-methoxy-4-phenylmethoxyphenyl)methylamino]-2-oxoethyl]azanium
SMILESCOc1cc(CNC(=O)C[NH2+][C@@H](C)c2ccco2)ccc1OCc1ccccc1
InChIInChI=1S/C23H26N2O4/c1-17(20-9-6-12-28-20)24-15-23(26)25-14-19-10-11-21(22(13-19)27-2)29-16-18-7-4-3-5-8-18/h3-13,17,24H,14-16H2,1-2H3,(H,25,26)/p+1/t17-/m0/s1
InChIKeyDBHYSOCCKKUXNO-KRWDZBQOSA-O
MW395.48 g/mol
LogP2.81
Rot. Bonds10

About [(1S)-1-(furan-2-yl)ethyl]-[2-[(3-methoxy-4-phenylmethoxyphenyl)methylamino]-2-oxoethyl]azanium

[(1S)-1-(furan-2-yl)ethyl]-[2-[(3-methoxy-4-phenylmethoxyphenyl)methylamino]-2-oxoethyl]azanium (PubChem CID 8922456) has the molecular formula C23H27N2O4+ and a molecular weight of 395.48 g/mol. Its IUPAC name is [(1S)-1-(furan-2-yl)ethyl]-[2-[(3-methoxy-4-phenylmethoxyphenyl)methylamino]-2-oxoethyl]azanium.

Molecular Properties

Compound Name[(1S)-1-(furan-2-yl)ethyl]-[2-[(3-methoxy-4-phenylmethoxyphenyl)methylamino]-2-oxoethyl]azanium
PubChem CID8922456
Molecular FormulaC23H27N2O4+
Molecular Weight395.48 g/mol
Exact Mass395.20
IUPAC Name[(1S)-1-(furan-2-yl)ethyl]-[2-[(3-methoxy-4-phenylmethoxyphenyl)methylamino]-2-oxoethyl]azanium
SMILESCOc1cc(CNC(=O)C[NH2+][C@@H](C)c2ccco2)ccc1OCc1ccccc1
InChIInChI=1S/C23H26N2O4/c1-17(20-9-6-12-28-20)24-15-23(26)25-14-19-10-11-21(22(13-19)27-2)29-16-18-7-4-3-5-8-18/h3-13,17,24H,14-16H2,1-2H3,(H,25,26)/p+1/t17-/m0/s1
InChIKeyDBHYSOCCKKUXNO-KRWDZBQOSA-O
XLogP2.81
TPSA77.31 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.48
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [(1S)-1-(furan-2-yl)ethyl]-[2-[(3-methoxy-4-phenylmethoxyphenyl)methylamino]-2-oxoethyl]azanium with MolForge

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Related Compounds

2-[bis(furan-2-ylmethyl)amino]-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]acetamide
CID 24574981
N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]butanamide
CID 27865842
4-amino-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]pentanamide
CID 120559289
[(1S)-1-(2-chlorophenyl)ethyl]-[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl]azanium
CID 9307272
2-(diethylamino)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]acetamide
CID 86908679
2-(4-methoxyphenyl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]acetamide
CID 27865855
4-[(3-methoxy-4-phenylmethoxyphenyl)methylamino]-4-oxobutanoate
CID 9151302
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-[(1S)-1-(furan-2-yl)ethyl]azanium
CID 8918803
N-[(1R)-1-(furan-2-yl)ethyl]-3-methoxy-4-phenylmethoxybenzamide
CID 9481817
2-(4-ethoxyphenyl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]acetamide
CID 27865748
[(1R)-1-(2-chlorophenyl)ethyl]-[2-[[4-(difluoromethoxy)-3-methoxyphenyl]methylamino]-2-oxoethyl]azanium
CID 8598976
N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-1-phenylcyclopropane-1-carboxamide
CID 33042340

Frequently Asked Questions

What is the IUPAC name of [(1S)-1-(furan-2-yl)ethyl]-[2-[(3-methoxy-4-phenylmethoxyphenyl)methylamino]-2-oxoethyl]azanium?
The IUPAC name of [(1S)-1-(furan-2-yl)ethyl]-[2-[(3-methoxy-4-phenylmethoxyphenyl)methylamino]-2-oxoethyl]azanium (CID 8922456) is [(1S)-1-(furan-2-yl)ethyl]-[2-[(3-methoxy-4-phenylmethoxyphenyl)methylamino]-2-oxoethyl]azanium.
What is the SMILES notation for [(1S)-1-(furan-2-yl)ethyl]-[2-[(3-methoxy-4-phenylmethoxyphenyl)methylamino]-2-oxoethyl]azanium?
The canonical SMILES for [(1S)-1-(furan-2-yl)ethyl]-[2-[(3-methoxy-4-phenylmethoxyphenyl)methylamino]-2-oxoethyl]azanium is COc1cc(CNC(=O)C[NH2+][C@@H](C)c2ccco2)ccc1OCc1ccccc1.
What is the InChIKey of [(1S)-1-(furan-2-yl)ethyl]-[2-[(3-methoxy-4-phenylmethoxyphenyl)methylamino]-2-oxoethyl]azanium?
The InChIKey is DBHYSOCCKKUXNO-KRWDZBQOSA-O. The full InChI is InChI=1S/C23H26N2O4/c1-17(20-9-6-12-28-20)24-15-23(26)25-14-19-10-11-21(22(13-19)27-2)29-16-18-7-4-3-5-8-18/h3-13,17,24H,14-16H2,1-2H3,(H,25,26)/p+1/t17-/m0/s1.
What are the key properties of [(1S)-1-(furan-2-yl)ethyl]-[2-[(3-methoxy-4-phenylmethoxyphenyl)methylamino]-2-oxoethyl]azanium?
[(1S)-1-(furan-2-yl)ethyl]-[2-[(3-methoxy-4-phenylmethoxyphenyl)methylamino]-2-oxoethyl]azanium has a molecular weight of 395.48 g/mol, XLogP of 2.81, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-1-(furan-2-yl)ethyl]-[2-[(3-methoxy-4-phenylmethoxyphenyl)methylamino]-2-oxoethyl]azanium is sourced from PubChem (CID 8922456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).