methyl 2-[[2-[1-(furan-2-yl)ethylamino]-2-oxoethyl]amino]-4-methylpentanoate

C15H24N2O4 — CID 60696494

IUPACmethyl 2-[[2-[1-(furan-2-yl)ethylamino]-2-oxoethyl]amino]-4-methylpentanoate
SMILESCOC(=O)C(CC(C)C)NCC(=O)NC(C)c1ccco1
InChIInChI=1S/C15H24N2O4/c1-10(2)8-12(15(19)20-4)16-9-14(18)17-11(3)13-6-5-7-21-13/h5-7,10-12,16H,8-9H2,1-4H3,(H,17,18)
InChIKeyGTVLSPFKGPKXMU-UHFFFAOYSA-N
MW296.37 g/mol
LogP1.63
Rot. Bonds8

About methyl 2-[[2-[1-(furan-2-yl)ethylamino]-2-oxoethyl]amino]-4-methylpentanoate

methyl 2-[[2-[1-(furan-2-yl)ethylamino]-2-oxoethyl]amino]-4-methylpentanoate (PubChem CID 60696494) has the molecular formula C15H24N2O4 and a molecular weight of 296.37 g/mol. Its IUPAC name is methyl 2-[[2-[1-(furan-2-yl)ethylamino]-2-oxoethyl]amino]-4-methylpentanoate.

Molecular Properties

Compound Namemethyl 2-[[2-[1-(furan-2-yl)ethylamino]-2-oxoethyl]amino]-4-methylpentanoate
PubChem CID60696494
Molecular FormulaC15H24N2O4
Molecular Weight296.37 g/mol
Exact Mass296.17
IUPAC Namemethyl 2-[[2-[1-(furan-2-yl)ethylamino]-2-oxoethyl]amino]-4-methylpentanoate
SMILESCOC(=O)C(CC(C)C)NCC(=O)NC(C)c1ccco1
InChIInChI=1S/C15H24N2O4/c1-10(2)8-12(15(19)20-4)16-9-14(18)17-11(3)13-6-5-7-21-13/h5-7,10-12,16H,8-9H2,1-4H3,(H,17,18)
InChIKeyGTVLSPFKGPKXMU-UHFFFAOYSA-N
XLogP1.63
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 2-[[2-[1-(furan-2-yl)ethylamino]-2-oxoethyl]amino]-4-methylpentanoate with MolForge

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Related Compounds

methyl 2-[[2-(furan-2-ylmethylamino)-2-oxoethyl]amino]-4-methylpentanoate
CID 60692657
methyl 2-[[(1R)-1-(furan-2-yl)ethyl]amino]butanoate
CID 115353555
(2S)-2-amino-N-[1-(furan-2-yl)ethyl]-4-methylpentanamide
CID 61154028
3-amino-N-[(1R)-1-(furan-2-yl)ethyl]butanamide
CID 81400293
2-(ethylamino)-N-[(1R)-1-(furan-2-yl)ethyl]acetamide
CID 81400688
N-carbamoyl-2-[1-(furan-2-yl)ethylamino]acetamide
CID 43401074
N-[(1S)-1-(furan-2-yl)ethyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 103940583
2-hydroxyethyl N-[1-(furan-2-yl)ethyl]carbamate
CID 79345496
ethyl N-[(1S)-1-(furan-2-yl)ethyl]carbamate
CID 81401192
ethyl N-[1-(furan-2-yl)ethyl]carbamate
CID 60660951
3-amino-N-[(1S)-1-(furan-2-yl)ethyl]-2-methylpropanamide
CID 81400789
4-[1-(furan-2-yl)ethylamino]-4-oxobutanoic acid
CID 43535656

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-[1-(furan-2-yl)ethylamino]-2-oxoethyl]amino]-4-methylpentanoate?
The IUPAC name of methyl 2-[[2-[1-(furan-2-yl)ethylamino]-2-oxoethyl]amino]-4-methylpentanoate (CID 60696494) is methyl 2-[[2-[1-(furan-2-yl)ethylamino]-2-oxoethyl]amino]-4-methylpentanoate.
What is the SMILES notation for methyl 2-[[2-[1-(furan-2-yl)ethylamino]-2-oxoethyl]amino]-4-methylpentanoate?
The canonical SMILES for methyl 2-[[2-[1-(furan-2-yl)ethylamino]-2-oxoethyl]amino]-4-methylpentanoate is COC(=O)C(CC(C)C)NCC(=O)NC(C)c1ccco1.
What is the InChIKey of methyl 2-[[2-[1-(furan-2-yl)ethylamino]-2-oxoethyl]amino]-4-methylpentanoate?
The InChIKey is GTVLSPFKGPKXMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O4/c1-10(2)8-12(15(19)20-4)16-9-14(18)17-11(3)13-6-5-7-21-13/h5-7,10-12,16H,8-9H2,1-4H3,(H,17,18).
What are the key properties of methyl 2-[[2-[1-(furan-2-yl)ethylamino]-2-oxoethyl]amino]-4-methylpentanoate?
methyl 2-[[2-[1-(furan-2-yl)ethylamino]-2-oxoethyl]amino]-4-methylpentanoate has a molecular weight of 296.37 g/mol, XLogP of 1.63, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-[1-(furan-2-yl)ethylamino]-2-oxoethyl]amino]-4-methylpentanoate is sourced from PubChem (CID 60696494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).