N-[5-[(2-butoxyacetyl)amino]-2-methoxyphenyl]furan-2-carboxamide

C18H22N2O5 — CID 50982846

IUPACN-[5-[(2-butoxyacetyl)amino]-2-methoxyphenyl]furan-2-carboxamide
SMILESCCCCOCC(=O)Nc1ccc(OC)c(NC(=O)c2ccco2)c1
InChIInChI=1S/C18H22N2O5/c1-3-4-9-24-12-17(21)19-13-7-8-15(23-2)14(11-13)20-18(22)16-6-5-10-25-16/h5-8,10-11H,3-4,9,12H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyUJWUKKMNPIHXGE-UHFFFAOYSA-N
MW346.38 g/mol
LogP3.30
Rot. Bonds9

About N-[5-[(2-butoxyacetyl)amino]-2-methoxyphenyl]furan-2-carboxamide

N-[5-[(2-butoxyacetyl)amino]-2-methoxyphenyl]furan-2-carboxamide (PubChem CID 50982846) has the molecular formula C18H22N2O5 and a molecular weight of 346.38 g/mol. Its IUPAC name is N-[5-[(2-butoxyacetyl)amino]-2-methoxyphenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[5-[(2-butoxyacetyl)amino]-2-methoxyphenyl]furan-2-carboxamide
PubChem CID50982846
Molecular FormulaC18H22N2O5
Molecular Weight346.38 g/mol
Exact Mass346.15
IUPAC NameN-[5-[(2-butoxyacetyl)amino]-2-methoxyphenyl]furan-2-carboxamide
SMILESCCCCOCC(=O)Nc1ccc(OC)c(NC(=O)c2ccco2)c1
InChIInChI=1S/C18H22N2O5/c1-3-4-9-24-12-17(21)19-13-7-8-15(23-2)14(11-13)20-18(22)16-6-5-10-25-16/h5-8,10-11H,3-4,9,12H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyUJWUKKMNPIHXGE-UHFFFAOYSA-N
XLogP3.30
TPSA89.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.38
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[5-[[2-(3,5-dimethylphenoxy)acetyl]amino]-2-methoxyphenyl]furan-2-carboxamide
CID 9324992
N-[3-[[2-(3,4-dimethylphenoxy)acetyl]amino]-4-methoxyphenyl]furan-2-carboxamide
CID 1091667
N-[3-[(3-butoxybenzoyl)carbamothioylamino]-4-methoxyphenyl]furan-2-carboxamide
CID 3934658
N-[4-methoxy-3-[(4-methylbenzoyl)amino]phenyl]furan-2-carboxamide
CID 655668
N-[3-[[2-(2,3-dimethylphenoxy)acetyl]amino]-4-methoxyphenyl]furan-2-carboxamide
CID 3157279
N'-[4-(furan-2-carbonylamino)-2,5-dimethoxyphenyl]-N-(4-methoxyphenyl)butanediamide
CID 4999318
N-(3-ethyl-4-methoxyphenyl)furan-2-carboxamide
CID 110777193
N-[5-(2,3-dihydroxypropylamino)-2-methoxyphenyl]furan-2-carboxamide
CID 168593134
N-[3-[(3-bromo-4-ethoxybenzoyl)amino]-4-methoxyphenyl]furan-2-carboxamide
CID 2212927
N-[4-(4-aminobutanoylamino)-2-methoxyphenyl]furan-2-carboxamide
CID 39193182
N-[4-[[2-(2-chlorophenoxy)acetyl]amino]-2-methoxyphenyl]furan-2-carboxamide
CID 3161355
N-(2-methoxy-5-propan-2-ylphenyl)furan-2-carboxamide
CID 110776781

Frequently Asked Questions

What is the IUPAC name of N-[5-[(2-butoxyacetyl)amino]-2-methoxyphenyl]furan-2-carboxamide?
The IUPAC name of N-[5-[(2-butoxyacetyl)amino]-2-methoxyphenyl]furan-2-carboxamide (CID 50982846) is N-[5-[(2-butoxyacetyl)amino]-2-methoxyphenyl]furan-2-carboxamide.
What is the SMILES notation for N-[5-[(2-butoxyacetyl)amino]-2-methoxyphenyl]furan-2-carboxamide?
The canonical SMILES for N-[5-[(2-butoxyacetyl)amino]-2-methoxyphenyl]furan-2-carboxamide is CCCCOCC(=O)Nc1ccc(OC)c(NC(=O)c2ccco2)c1.
What is the InChIKey of N-[5-[(2-butoxyacetyl)amino]-2-methoxyphenyl]furan-2-carboxamide?
The InChIKey is UJWUKKMNPIHXGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O5/c1-3-4-9-24-12-17(21)19-13-7-8-15(23-2)14(11-13)20-18(22)16-6-5-10-25-16/h5-8,10-11H,3-4,9,12H2,1-2H3,(H,19,21)(H,20,22).
What are the key properties of N-[5-[(2-butoxyacetyl)amino]-2-methoxyphenyl]furan-2-carboxamide?
N-[5-[(2-butoxyacetyl)amino]-2-methoxyphenyl]furan-2-carboxamide has a molecular weight of 346.38 g/mol, XLogP of 3.30, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(2-butoxyacetyl)amino]-2-methoxyphenyl]furan-2-carboxamide is sourced from PubChem (CID 50982846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).