methyl 2-[[2-(furan-2-ylmethylamino)-2-oxoethyl]amino]-4-methylpentanoate

C14H22N2O4 — CID 60692657

IUPACmethyl 2-[[2-(furan-2-ylmethylamino)-2-oxoethyl]amino]-4-methylpentanoate
SMILESCOC(=O)C(CC(C)C)NCC(=O)NCc1ccco1
InChIInChI=1S/C14H22N2O4/c1-10(2)7-12(14(18)19-3)15-9-13(17)16-8-11-5-4-6-20-11/h4-6,10,12,15H,7-9H2,1-3H3,(H,16,17)
InChIKeyXTLFULFEWASEGD-UHFFFAOYSA-N
MW282.34 g/mol
LogP1.07
Rot. Bonds8

About methyl 2-[[2-(furan-2-ylmethylamino)-2-oxoethyl]amino]-4-methylpentanoate

methyl 2-[[2-(furan-2-ylmethylamino)-2-oxoethyl]amino]-4-methylpentanoate (PubChem CID 60692657) has the molecular formula C14H22N2O4 and a molecular weight of 282.34 g/mol. Its IUPAC name is methyl 2-[[2-(furan-2-ylmethylamino)-2-oxoethyl]amino]-4-methylpentanoate.

Molecular Properties

Compound Namemethyl 2-[[2-(furan-2-ylmethylamino)-2-oxoethyl]amino]-4-methylpentanoate
PubChem CID60692657
Molecular FormulaC14H22N2O4
Molecular Weight282.34 g/mol
Exact Mass282.16
IUPAC Namemethyl 2-[[2-(furan-2-ylmethylamino)-2-oxoethyl]amino]-4-methylpentanoate
SMILESCOC(=O)C(CC(C)C)NCC(=O)NCc1ccco1
InChIInChI=1S/C14H22N2O4/c1-10(2)7-12(14(18)19-3)15-9-13(17)16-8-11-5-4-6-20-11/h4-6,10,12,15H,7-9H2,1-3H3,(H,16,17)
InChIKeyXTLFULFEWASEGD-UHFFFAOYSA-N
XLogP1.07
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 2-[[2-(furan-2-ylmethylamino)-2-oxoethyl]amino]-4-methylpentanoate with MolForge

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Related Compounds

methyl 2-[[2-[1-(furan-2-yl)ethylamino]-2-oxoethyl]amino]-4-methylpentanoate
CID 60696494
methyl N-[(2S)-1-(furan-2-ylmethylamino)-4-methyl-1-oxopentan-2-yl]carbamate
CID 110351273
N-(furan-2-ylmethyl)-2-[1-(4-phenylphenyl)ethylamino]acetamide
CID 47010968
3-amino-N-(furan-2-ylmethyl)butanamide
CID 60835501
methyl 2-(furan-2-ylmethylcarbamoylamino)propanoate
CID 4265713
(2S)-2-(2,2-dimethylpropanoylamino)-N-(furan-2-ylmethyl)-4-methylpentanamide
CID 110351223
2-[[(1S)-1-(4-fluorophenyl)-2-methylpropyl]amino]-N-(furan-2-ylmethyl)acetamide
CID 51565539
N-[(2S)-1-(furan-2-ylmethylamino)-4-methyl-1-oxopentan-2-yl]-4-methoxybenzamide
CID 110351238
N-(furan-2-ylmethyl)-2-(2-methoxyethylamino)acetamide
CID 3229603
4-amino-N-(furan-2-ylmethyl)-3-methoxybutanamide
CID 103154043
N-(furan-2-ylmethyl)-2-[[2-oxo-2-(propylamino)ethyl]amino]propanamide
CID 43401459
N-(furan-2-ylmethyl)-2-[1-(3-propan-2-yloxyphenyl)ethylamino]acetamide
CID 146125544

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-(furan-2-ylmethylamino)-2-oxoethyl]amino]-4-methylpentanoate?
The IUPAC name of methyl 2-[[2-(furan-2-ylmethylamino)-2-oxoethyl]amino]-4-methylpentanoate (CID 60692657) is methyl 2-[[2-(furan-2-ylmethylamino)-2-oxoethyl]amino]-4-methylpentanoate.
What is the SMILES notation for methyl 2-[[2-(furan-2-ylmethylamino)-2-oxoethyl]amino]-4-methylpentanoate?
The canonical SMILES for methyl 2-[[2-(furan-2-ylmethylamino)-2-oxoethyl]amino]-4-methylpentanoate is COC(=O)C(CC(C)C)NCC(=O)NCc1ccco1.
What is the InChIKey of methyl 2-[[2-(furan-2-ylmethylamino)-2-oxoethyl]amino]-4-methylpentanoate?
The InChIKey is XTLFULFEWASEGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4/c1-10(2)7-12(14(18)19-3)15-9-13(17)16-8-11-5-4-6-20-11/h4-6,10,12,15H,7-9H2,1-3H3,(H,16,17).
What are the key properties of methyl 2-[[2-(furan-2-ylmethylamino)-2-oxoethyl]amino]-4-methylpentanoate?
methyl 2-[[2-(furan-2-ylmethylamino)-2-oxoethyl]amino]-4-methylpentanoate has a molecular weight of 282.34 g/mol, XLogP of 1.07, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-(furan-2-ylmethylamino)-2-oxoethyl]amino]-4-methylpentanoate is sourced from PubChem (CID 60692657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).