N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-5-methyl-4-oxo-5-phenylfuran-2-carboxamide

C18H24N2O5 — CID 58219015

IUPACN-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-5-methyl-4-oxo-5-phenylfuran-2-carboxamide
SMILESCC1(c2ccccc2)OC(C(=O)NCCOCCOCCN)=CC1=O
InChIInChI=1S/C18H24N2O5/c1-18(14-5-3-2-4-6-14)16(21)13-15(25-18)17(22)20-8-10-24-12-11-23-9-7-19/h2-6,13H,7-12,19H2,1H3,(H,20,22)
InChIKeyRAOFCKHMQDROBB-UHFFFAOYSA-N
MW348.40 g/mol
LogP0.49
Rot. Bonds10

About N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-5-methyl-4-oxo-5-phenylfuran-2-carboxamide

N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-5-methyl-4-oxo-5-phenylfuran-2-carboxamide (PubChem CID 58219015) has the molecular formula C18H24N2O5 and a molecular weight of 348.40 g/mol. Its IUPAC name is N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-5-methyl-4-oxo-5-phenylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-5-methyl-4-oxo-5-phenylfuran-2-carboxamide
PubChem CID58219015
Molecular FormulaC18H24N2O5
Molecular Weight348.40 g/mol
Exact Mass348.17
IUPAC NameN-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-5-methyl-4-oxo-5-phenylfuran-2-carboxamide
SMILESCC1(c2ccccc2)OC(C(=O)NCCOCCOCCN)=CC1=O
InChIInChI=1S/C18H24N2O5/c1-18(14-5-3-2-4-6-14)16(21)13-15(25-18)17(22)20-8-10-24-12-11-23-9-7-19/h2-6,13H,7-12,19H2,1H3,(H,20,22)
InChIKeyRAOFCKHMQDROBB-UHFFFAOYSA-N
XLogP0.49
TPSA99.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[2-(icosa-5,8,11,14,17-pentaenoylamino)ethoxy]ethyl]-5-methyl-4-oxo-5-phenylfuran-2-carboxamide
CID 67092865
1,3-dihydroxypropan-2-yl 4-[[(Z)-hex-3-enoyl]amino]-2-[(5-methyl-4-oxo-5-phenylfuran-2-carbonyl)amino]butanoate
CID 58219018
1-[2-(2-aminoethoxy)ethyl]-3-benzylurea
CID 107654533
benzyl N-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethyl]carbamate
CID 162341693
N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-methylbenzamide;ethane
CID 143583879
N-[2-(2-aminoethoxy)ethyl]-2,3-dihydroxybenzamide
CID 114345378
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylcarbamic acid
CID 88921275
N-[2-(2-aminoethoxy)ethyl]-3',6'-dihydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-carboxamide
CID 145379120
S-methyl N-[2-(2-aminoethoxy)ethyl]carbamothioate
CID 139475977
N-[2-(2-aminoethoxy)ethyl]thiophene-2-carboxamide
CID 82354226
N-[2-(2-aminoethoxy)ethyl]-2-fluoro-6-hydroxybenzamide
CID 107017062
N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-3-phenylprop-2-enamide;hydrochloride
CID 169083645

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-5-methyl-4-oxo-5-phenylfuran-2-carboxamide?
The IUPAC name of N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-5-methyl-4-oxo-5-phenylfuran-2-carboxamide (CID 58219015) is N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-5-methyl-4-oxo-5-phenylfuran-2-carboxamide.
What is the SMILES notation for N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-5-methyl-4-oxo-5-phenylfuran-2-carboxamide?
The canonical SMILES for N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-5-methyl-4-oxo-5-phenylfuran-2-carboxamide is CC1(c2ccccc2)OC(C(=O)NCCOCCOCCN)=CC1=O.
What is the InChIKey of N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-5-methyl-4-oxo-5-phenylfuran-2-carboxamide?
The InChIKey is RAOFCKHMQDROBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O5/c1-18(14-5-3-2-4-6-14)16(21)13-15(25-18)17(22)20-8-10-24-12-11-23-9-7-19/h2-6,13H,7-12,19H2,1H3,(H,20,22).
What are the key properties of N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-5-methyl-4-oxo-5-phenylfuran-2-carboxamide?
N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-5-methyl-4-oxo-5-phenylfuran-2-carboxamide has a molecular weight of 348.40 g/mol, XLogP of 0.49, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-5-methyl-4-oxo-5-phenylfuran-2-carboxamide is sourced from PubChem (CID 58219015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).