N-[4-[[1-(4-ethylphenyl)-2-methylpropyl]amino]-4-oxobutyl]furan-2-carboxamide

C21H28N2O3 — CID 46532972

IUPACN-[4-[[1-(4-ethylphenyl)-2-methylpropyl]amino]-4-oxobutyl]furan-2-carboxamide
SMILESCCc1ccc(C(NC(=O)CCCNC(=O)c2ccco2)C(C)C)cc1
InChIInChI=1S/C21H28N2O3/c1-4-16-9-11-17(12-10-16)20(15(2)3)23-19(24)8-5-13-22-21(25)18-7-6-14-26-18/h6-7,9-12,14-15,20H,4-5,8,13H2,1-3H3,(H,22,25)(H,23,24)
InChIKeyMEOYINWWOWJONG-UHFFFAOYSA-N
MW356.47 g/mol
LogP3.87
Rot. Bonds9

About N-[4-[[1-(4-ethylphenyl)-2-methylpropyl]amino]-4-oxobutyl]furan-2-carboxamide

N-[4-[[1-(4-ethylphenyl)-2-methylpropyl]amino]-4-oxobutyl]furan-2-carboxamide (PubChem CID 46532972) has the molecular formula C21H28N2O3 and a molecular weight of 356.47 g/mol. Its IUPAC name is N-[4-[[1-(4-ethylphenyl)-2-methylpropyl]amino]-4-oxobutyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-[[1-(4-ethylphenyl)-2-methylpropyl]amino]-4-oxobutyl]furan-2-carboxamide
PubChem CID46532972
Molecular FormulaC21H28N2O3
Molecular Weight356.47 g/mol
Exact Mass356.21
IUPAC NameN-[4-[[1-(4-ethylphenyl)-2-methylpropyl]amino]-4-oxobutyl]furan-2-carboxamide
SMILESCCc1ccc(C(NC(=O)CCCNC(=O)c2ccco2)C(C)C)cc1
InChIInChI=1S/C21H28N2O3/c1-4-16-9-11-17(12-10-16)20(15(2)3)23-19(24)8-5-13-22-21(25)18-7-6-14-26-18/h6-7,9-12,14-15,20H,4-5,8,13H2,1-3H3,(H,22,25)(H,23,24)
InChIKeyMEOYINWWOWJONG-UHFFFAOYSA-N
XLogP3.87
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[4-[[1-(4-ethylphenyl)-2-methylpropyl]amino]-4-oxobutyl]furan-2-carboxamide with MolForge

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Related Compounds

N-[3-[[1-(4-ethylphenyl)-2-methylpropyl]amino]-3-oxopropyl]furan-2-carboxamide
CID 43031477
2-[4-(furan-2-carbonylamino)butanoylamino]-3-methylbutanoic acid
CID 43353978
N-[4-(1-hydroxypropan-2-ylamino)-4-oxobutyl]furan-2-carboxamide
CID 43418787
N-[4-[[(2R)-1-hydroxypropan-2-yl]amino]-4-oxobutyl]furan-2-carboxamide
CID 79030673
N-[1-[[1-(4-ethylphenyl)-2-methylpropyl]amino]-1-oxopropan-2-yl]furan-2-carboxamide
CID 78810785
ethyl 2-[4-(furan-2-carbonylamino)butanoylamino]propanoate
CID 61343133
N-[4-[1-(4-bromophenyl)propylamino]-4-oxobutyl]furan-2-carboxamide
CID 43022777
N-[4-(1,3-dihydroxypropan-2-ylamino)-4-oxobutyl]furan-2-carboxamide
CID 65312462
N-[4-[1-(1,3-benzodioxol-5-yl)ethylamino]-4-oxobutyl]furan-2-carboxamide
CID 42934368
N-[2-[[1-(4-ethylphenyl)-2-methylpropyl]amino]-2-oxoethyl]-2-phenylacetamide
CID 55437912
N-[4-[1-(2-bromophenyl)ethylamino]-4-oxobutyl]furan-2-carboxamide
CID 51181201
N-[2-[(4-ethylbenzoyl)amino]ethyl]furan-2-carboxamide
CID 134052250

Frequently Asked Questions

What is the IUPAC name of N-[4-[[1-(4-ethylphenyl)-2-methylpropyl]amino]-4-oxobutyl]furan-2-carboxamide?
The IUPAC name of N-[4-[[1-(4-ethylphenyl)-2-methylpropyl]amino]-4-oxobutyl]furan-2-carboxamide (CID 46532972) is N-[4-[[1-(4-ethylphenyl)-2-methylpropyl]amino]-4-oxobutyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-[[1-(4-ethylphenyl)-2-methylpropyl]amino]-4-oxobutyl]furan-2-carboxamide?
The canonical SMILES for N-[4-[[1-(4-ethylphenyl)-2-methylpropyl]amino]-4-oxobutyl]furan-2-carboxamide is CCc1ccc(C(NC(=O)CCCNC(=O)c2ccco2)C(C)C)cc1.
What is the InChIKey of N-[4-[[1-(4-ethylphenyl)-2-methylpropyl]amino]-4-oxobutyl]furan-2-carboxamide?
The InChIKey is MEOYINWWOWJONG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O3/c1-4-16-9-11-17(12-10-16)20(15(2)3)23-19(24)8-5-13-22-21(25)18-7-6-14-26-18/h6-7,9-12,14-15,20H,4-5,8,13H2,1-3H3,(H,22,25)(H,23,24).
What are the key properties of N-[4-[[1-(4-ethylphenyl)-2-methylpropyl]amino]-4-oxobutyl]furan-2-carboxamide?
N-[4-[[1-(4-ethylphenyl)-2-methylpropyl]amino]-4-oxobutyl]furan-2-carboxamide has a molecular weight of 356.47 g/mol, XLogP of 3.87, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[1-(4-ethylphenyl)-2-methylpropyl]amino]-4-oxobutyl]furan-2-carboxamide is sourced from PubChem (CID 46532972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).