methyl 3-[[2-[[(1R)-1-(furan-2-yl)ethyl]amino]acetyl]amino]-4-methylbenzoate

C17H20N2O4 — CID 8919600

IUPACmethyl 3-[[2-[[(1R)-1-(furan-2-yl)ethyl]amino]acetyl]amino]-4-methylbenzoate
SMILESCOC(=O)c1ccc(C)c(NC(=O)CN[C@H](C)c2ccco2)c1
InChIInChI=1S/C17H20N2O4/c1-11-6-7-13(17(21)22-3)9-14(11)19-16(20)10-18-12(2)15-5-4-8-23-15/h4-9,12,18H,10H2,1-3H3,(H,19,20)/t12-/m1/s1
InChIKeyQZFPQBOKONSRFP-GFCCVEGCSA-N
MW316.36 g/mol
LogP2.66
Rot. Bonds6

About methyl 3-[[2-[[(1R)-1-(furan-2-yl)ethyl]amino]acetyl]amino]-4-methylbenzoate

methyl 3-[[2-[[(1R)-1-(furan-2-yl)ethyl]amino]acetyl]amino]-4-methylbenzoate (PubChem CID 8919600) has the molecular formula C17H20N2O4 and a molecular weight of 316.36 g/mol. Its IUPAC name is methyl 3-[[2-[[(1R)-1-(furan-2-yl)ethyl]amino]acetyl]amino]-4-methylbenzoate.

Molecular Properties

Compound Namemethyl 3-[[2-[[(1R)-1-(furan-2-yl)ethyl]amino]acetyl]amino]-4-methylbenzoate
PubChem CID8919600
Molecular FormulaC17H20N2O4
Molecular Weight316.36 g/mol
Exact Mass316.14
IUPAC Namemethyl 3-[[2-[[(1R)-1-(furan-2-yl)ethyl]amino]acetyl]amino]-4-methylbenzoate
SMILESCOC(=O)c1ccc(C)c(NC(=O)CN[C@H](C)c2ccco2)c1
InChIInChI=1S/C17H20N2O4/c1-11-6-7-13(17(21)22-3)9-14(11)19-16(20)10-18-12(2)15-5-4-8-23-15/h4-9,12,18H,10H2,1-3H3,(H,19,20)/t12-/m1/s1
InChIKeyQZFPQBOKONSRFP-GFCCVEGCSA-N
XLogP2.66
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 3-[[2-[[(1R)-1-(furan-2-yl)ethyl]amino]acetyl]amino]-4-methylbenzoate with MolForge

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Related Compounds

methyl 3-[[2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]acetyl]amino]-4-methylbenzoate
CID 9334588
methyl 3-[[2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]acetyl]amino]-4-methylbenzoate
CID 9375605
N-(4-chloro-2-methylphenyl)-2-[[(1R)-1-(furan-2-yl)ethyl]amino]acetamide
CID 8919166
methyl 3-[[2-[[(1S)-1-(2,4-dichloro-5-fluorophenyl)ethyl]amino]acetyl]amino]-4-methylbenzoate
CID 9377192
2-[[(1S)-1-(furan-2-yl)ethyl]amino]-N-(2,3,4-trifluorophenyl)acetamide
CID 8918343
N-(2,5-difluorophenyl)-2-[[(1S)-1-(furan-2-yl)ethyl]amino]acetamide
CID 8919204
N-(3-fluoro-4-methylphenyl)-2-[[(1R)-1-(furan-2-yl)ethyl]amino]acetamide
CID 8919228
N-(2-bromo-4-methylphenyl)-2-[[(1R)-1-(furan-2-yl)ethyl]amino]acetamide
CID 8918532
2-[[(1S)-1-(furan-2-yl)ethyl]amino]-N-naphthalen-1-ylacetamide
CID 8918107
methyl 3-bromo-4-[[[(1R)-1-(furan-2-yl)ethyl]amino]methyl]benzoate
CID 102766785
3-[1-(furan-2-yl)ethylcarbamoylamino]-4-methylbenzoic acid
CID 61197373
2-[[(1S)-1-(furan-2-yl)ethyl]amino]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 8918453

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[2-[[(1R)-1-(furan-2-yl)ethyl]amino]acetyl]amino]-4-methylbenzoate?
The IUPAC name of methyl 3-[[2-[[(1R)-1-(furan-2-yl)ethyl]amino]acetyl]amino]-4-methylbenzoate (CID 8919600) is methyl 3-[[2-[[(1R)-1-(furan-2-yl)ethyl]amino]acetyl]amino]-4-methylbenzoate.
What is the SMILES notation for methyl 3-[[2-[[(1R)-1-(furan-2-yl)ethyl]amino]acetyl]amino]-4-methylbenzoate?
The canonical SMILES for methyl 3-[[2-[[(1R)-1-(furan-2-yl)ethyl]amino]acetyl]amino]-4-methylbenzoate is COC(=O)c1ccc(C)c(NC(=O)CN[C@H](C)c2ccco2)c1.
What is the InChIKey of methyl 3-[[2-[[(1R)-1-(furan-2-yl)ethyl]amino]acetyl]amino]-4-methylbenzoate?
The InChIKey is QZFPQBOKONSRFP-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H20N2O4/c1-11-6-7-13(17(21)22-3)9-14(11)19-16(20)10-18-12(2)15-5-4-8-23-15/h4-9,12,18H,10H2,1-3H3,(H,19,20)/t12-/m1/s1.
What are the key properties of methyl 3-[[2-[[(1R)-1-(furan-2-yl)ethyl]amino]acetyl]amino]-4-methylbenzoate?
methyl 3-[[2-[[(1R)-1-(furan-2-yl)ethyl]amino]acetyl]amino]-4-methylbenzoate has a molecular weight of 316.36 g/mol, XLogP of 2.66, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[2-[[(1R)-1-(furan-2-yl)ethyl]amino]acetyl]amino]-4-methylbenzoate is sourced from PubChem (CID 8919600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).