ethyl N-[3-[[(1S)-1-(5-methylfuran-2-yl)ethyl]amino]-3-oxopropyl]carbamate

C13H20N2O4 — CID 38468933

IUPACethyl N-[3-[[(1S)-1-(5-methylfuran-2-yl)ethyl]amino]-3-oxopropyl]carbamate
SMILESCCOC(=O)NCCC(=O)N[C@@H](C)c1ccc(C)o1
InChIInChI=1S/C13H20N2O4/c1-4-18-13(17)14-8-7-12(16)15-10(3)11-6-5-9(2)19-11/h5-6,10H,4,7-8H2,1-3H3,(H,14,17)(H,15,16)/t10-/m0/s1
InChIKeyXHBLFQALAPHUKW-JTQLQIEISA-N
MW268.31 g/mol
LogP1.90
Rot. Bonds6

About ethyl N-[3-[[(1S)-1-(5-methylfuran-2-yl)ethyl]amino]-3-oxopropyl]carbamate

ethyl N-[3-[[(1S)-1-(5-methylfuran-2-yl)ethyl]amino]-3-oxopropyl]carbamate (PubChem CID 38468933) has the molecular formula C13H20N2O4 and a molecular weight of 268.31 g/mol. Its IUPAC name is ethyl N-[3-[[(1S)-1-(5-methylfuran-2-yl)ethyl]amino]-3-oxopropyl]carbamate.

Molecular Properties

Compound Nameethyl N-[3-[[(1S)-1-(5-methylfuran-2-yl)ethyl]amino]-3-oxopropyl]carbamate
PubChem CID38468933
Molecular FormulaC13H20N2O4
Molecular Weight268.31 g/mol
Exact Mass268.14
IUPAC Nameethyl N-[3-[[(1S)-1-(5-methylfuran-2-yl)ethyl]amino]-3-oxopropyl]carbamate
SMILESCCOC(=O)NCCC(=O)N[C@@H](C)c1ccc(C)o1
InChIInChI=1S/C13H20N2O4/c1-4-18-13(17)14-8-7-12(16)15-10(3)11-6-5-9(2)19-11/h5-6,10H,4,7-8H2,1-3H3,(H,14,17)(H,15,16)/t10-/m0/s1
InChIKeyXHBLFQALAPHUKW-JTQLQIEISA-N
XLogP1.90
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze ethyl N-[3-[[(1S)-1-(5-methylfuran-2-yl)ethyl]amino]-3-oxopropyl]carbamate with MolForge

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Related Compounds

ethyl 4-[1-(5-methylfuran-2-yl)ethylamino]-4-oxobutanoate
CID 60660991
N-[1-(5-methylfuran-2-yl)ethyl]-3-[(2-phenylacetyl)amino]propanamide
CID 51314573
3-chloro-N-[1-(5-methylfuran-2-yl)ethyl]propanamide
CID 43697661
ethyl N-[4-[[2-[1-(5-methylfuran-2-yl)ethylamino]-2-oxoacetyl]amino]phenyl]carbamate
CID 47043505
3-(4-methoxyphenyl)-N-[1-(5-methylfuran-2-yl)ethyl]propanamide
CID 51187923
methyl 7-[1-(5-methylfuran-2-yl)ethylcarbamoylamino]heptanoate
CID 86993788
N-butyl-2-[1-(5-methylfuran-2-yl)ethylamino]acetamide
CID 60673240
ethyl N-[3-[4-(2-methylpropanoylamino)anilino]-3-oxopropyl]carbamate
CID 46427395
2-(2-aminophenyl)-N-[1-(5-methylfuran-2-yl)ethyl]acetamide
CID 61138769
3-(2,4-dimethylphenyl)-N-[1-(5-methylfuran-2-yl)ethyl]propanamide
CID 51329039
2-[acetyl(methyl)amino]-N-[1-(5-methylfuran-2-yl)ethyl]acetamide
CID 47025995
2-[1-(5-methylfuran-2-yl)ethylamino]-N-pentan-2-ylacetamide
CID 60697975

Frequently Asked Questions

What is the IUPAC name of ethyl N-[3-[[(1S)-1-(5-methylfuran-2-yl)ethyl]amino]-3-oxopropyl]carbamate?
The IUPAC name of ethyl N-[3-[[(1S)-1-(5-methylfuran-2-yl)ethyl]amino]-3-oxopropyl]carbamate (CID 38468933) is ethyl N-[3-[[(1S)-1-(5-methylfuran-2-yl)ethyl]amino]-3-oxopropyl]carbamate.
What is the SMILES notation for ethyl N-[3-[[(1S)-1-(5-methylfuran-2-yl)ethyl]amino]-3-oxopropyl]carbamate?
The canonical SMILES for ethyl N-[3-[[(1S)-1-(5-methylfuran-2-yl)ethyl]amino]-3-oxopropyl]carbamate is CCOC(=O)NCCC(=O)N[C@@H](C)c1ccc(C)o1.
What is the InChIKey of ethyl N-[3-[[(1S)-1-(5-methylfuran-2-yl)ethyl]amino]-3-oxopropyl]carbamate?
The InChIKey is XHBLFQALAPHUKW-JTQLQIEISA-N. The full InChI is InChI=1S/C13H20N2O4/c1-4-18-13(17)14-8-7-12(16)15-10(3)11-6-5-9(2)19-11/h5-6,10H,4,7-8H2,1-3H3,(H,14,17)(H,15,16)/t10-/m0/s1.
What are the key properties of ethyl N-[3-[[(1S)-1-(5-methylfuran-2-yl)ethyl]amino]-3-oxopropyl]carbamate?
ethyl N-[3-[[(1S)-1-(5-methylfuran-2-yl)ethyl]amino]-3-oxopropyl]carbamate has a molecular weight of 268.31 g/mol, XLogP of 1.90, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[3-[[(1S)-1-(5-methylfuran-2-yl)ethyl]amino]-3-oxopropyl]carbamate is sourced from PubChem (CID 38468933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).