[2-(furan-2-ylmethylamino)-2-oxoethyl] 2-(adamantane-1-carbonylamino)acetate

C20H26N2O5 — CID 7190863

IUPAC[2-(furan-2-ylmethylamino)-2-oxoethyl] 2-(adamantane-1-carbonylamino)acetate
SMILESO=C(COC(=O)CNC(=O)C12CC3CC(CC(C3)C1)C2)NCc1ccco1
InChIInChI=1S/C20H26N2O5/c23-17(21-10-16-2-1-3-26-16)12-27-18(24)11-22-19(25)20-7-13-4-14(8-20)6-15(5-13)9-20/h1-3,13-15H,4-12H2,(H,21,23)(H,22,25)
InChIKeyRZGDDHDRYZDFPN-UHFFFAOYSA-N
MW374.44 g/mol
LogP1.77
Rot. Bonds7

About [2-(furan-2-ylmethylamino)-2-oxoethyl] 2-(adamantane-1-carbonylamino)acetate

[2-(furan-2-ylmethylamino)-2-oxoethyl] 2-(adamantane-1-carbonylamino)acetate (PubChem CID 7190863) has the molecular formula C20H26N2O5 and a molecular weight of 374.44 g/mol. Its IUPAC name is [2-(furan-2-ylmethylamino)-2-oxoethyl] 2-(adamantane-1-carbonylamino)acetate.

Molecular Properties

Compound Name[2-(furan-2-ylmethylamino)-2-oxoethyl] 2-(adamantane-1-carbonylamino)acetate
PubChem CID7190863
Molecular FormulaC20H26N2O5
Molecular Weight374.44 g/mol
Exact Mass374.18
IUPAC Name[2-(furan-2-ylmethylamino)-2-oxoethyl] 2-(adamantane-1-carbonylamino)acetate
SMILESO=C(COC(=O)CNC(=O)C12CC3CC(CC(C3)C1)C2)NCc1ccco1
InChIInChI=1S/C20H26N2O5/c23-17(21-10-16-2-1-3-26-16)12-27-18(24)11-22-19(25)20-7-13-4-14(8-20)6-15(5-13)9-20/h1-3,13-15H,4-12H2,(H,21,23)(H,22,25)
InChIKeyRZGDDHDRYZDFPN-UHFFFAOYSA-N
XLogP1.77
TPSA97.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 2-(adamantane-1-carbonylamino)acetate
CID 7190874
[2-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 2-(adamantane-1-carbonylamino)acetate
CID 3963302
[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 2-(adamantane-1-carbonylamino)acetate
CID 7190629
[2-(benzylcarbamoylamino)-2-oxoethyl] 2-(adamantane-1-carbonylamino)acetate
CID 7190632
[2-(methylamino)-2-oxoethyl] 2-(adamantane-1-carbonylamino)acetate
CID 3667781
3-bromo-N-(furan-2-ylmethyl)adamantane-1-carboxamide
CID 78533747
N-[[3-(furan-2-ylmethylcarbamoyl)phenyl]methyl]adamantane-1-carboxamide
CID 60532837
[2-(4-carbamoylanilino)-2-oxoethyl] 2-(adamantane-1-carbonylamino)acetate
CID 7190927
[2-(methylcarbamoylamino)-2-oxoethyl] 2-(adamantane-1-carbonylamino)acetate
CID 3258718
N-[2-[2-(furan-2-ylmethylidene)hydrazinyl]-2-oxoethyl]adamantane-1-carboxamide
CID 4258491
1-[(E)-1-(1-adamantyl)ethylideneamino]-3-(furan-2-ylmethyl)urea
CID 95068239
[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 1-(adamantane-1-carbonyl)pyrrolidine-2-carboxylate
CID 46794326

Frequently Asked Questions

What is the IUPAC name of [2-(furan-2-ylmethylamino)-2-oxoethyl] 2-(adamantane-1-carbonylamino)acetate?
The IUPAC name of [2-(furan-2-ylmethylamino)-2-oxoethyl] 2-(adamantane-1-carbonylamino)acetate (CID 7190863) is [2-(furan-2-ylmethylamino)-2-oxoethyl] 2-(adamantane-1-carbonylamino)acetate.
What is the SMILES notation for [2-(furan-2-ylmethylamino)-2-oxoethyl] 2-(adamantane-1-carbonylamino)acetate?
The canonical SMILES for [2-(furan-2-ylmethylamino)-2-oxoethyl] 2-(adamantane-1-carbonylamino)acetate is O=C(COC(=O)CNC(=O)C12CC3CC(CC(C3)C1)C2)NCc1ccco1.
What is the InChIKey of [2-(furan-2-ylmethylamino)-2-oxoethyl] 2-(adamantane-1-carbonylamino)acetate?
The InChIKey is RZGDDHDRYZDFPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O5/c23-17(21-10-16-2-1-3-26-16)12-27-18(24)11-22-19(25)20-7-13-4-14(8-20)6-15(5-13)9-20/h1-3,13-15H,4-12H2,(H,21,23)(H,22,25).
What are the key properties of [2-(furan-2-ylmethylamino)-2-oxoethyl] 2-(adamantane-1-carbonylamino)acetate?
[2-(furan-2-ylmethylamino)-2-oxoethyl] 2-(adamantane-1-carbonylamino)acetate has a molecular weight of 374.44 g/mol, XLogP of 1.77, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(furan-2-ylmethylamino)-2-oxoethyl] 2-(adamantane-1-carbonylamino)acetate is sourced from PubChem (CID 7190863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).