N-[2-[3-(4-methylphenyl)propanoylamino]ethyl]furan-2-carboxamide

C17H20N2O3 — CID 43049335

IUPACN-[2-[3-(4-methylphenyl)propanoylamino]ethyl]furan-2-carboxamide
SMILESCc1ccc(CCC(=O)NCCNC(=O)c2ccco2)cc1
InChIInChI=1S/C17H20N2O3/c1-13-4-6-14(7-5-13)8-9-16(20)18-10-11-19-17(21)15-3-2-12-22-15/h2-7,12H,8-11H2,1H3,(H,18,20)(H,19,21)
InChIKeyAXMXAYJFKYTJEH-UHFFFAOYSA-N
MW300.36 g/mol
LogP2.07
Rot. Bonds7

About N-[2-[3-(4-methylphenyl)propanoylamino]ethyl]furan-2-carboxamide

N-[2-[3-(4-methylphenyl)propanoylamino]ethyl]furan-2-carboxamide (PubChem CID 43049335) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is N-[2-[3-(4-methylphenyl)propanoylamino]ethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-[3-(4-methylphenyl)propanoylamino]ethyl]furan-2-carboxamide
PubChem CID43049335
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC NameN-[2-[3-(4-methylphenyl)propanoylamino]ethyl]furan-2-carboxamide
SMILESCc1ccc(CCC(=O)NCCNC(=O)c2ccco2)cc1
InChIInChI=1S/C17H20N2O3/c1-13-4-6-14(7-5-13)8-9-16(20)18-10-11-19-17(21)15-3-2-12-22-15/h2-7,12H,8-11H2,1H3,(H,18,20)(H,19,21)
InChIKeyAXMXAYJFKYTJEH-UHFFFAOYSA-N
XLogP2.07
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[3-(4-methylphenyl)propanoylamino]ethyl]benzamide
CID 24660004
N-[2-(pentanoylamino)ethyl]furan-2-carboxamide
CID 33189840
N-[2-(3-aminopropanoylamino)ethyl]furan-2-carboxamide;hydrochloride
CID 119278257
N-[2-(3-chloropropanoylamino)ethyl]furan-2-carboxamide
CID 108571149
N-[2-[(2-chloroacetyl)amino]ethyl]furan-2-carboxamide
CID 108571159
2-iodo-N-[2-[3-(4-methylphenyl)propanoylamino]ethyl]benzamide
CID 108539180
N-[2-(3-methylbutanoylamino)ethyl]furan-2-carboxamide
CID 40605624
N-[3-[2-(2-methoxy-5-methylphenyl)ethylamino]-3-oxopropyl]furan-2-carboxamide
CID 26457203
N-(2-methoxyethyl)-3-(4-methylphenyl)propanamide
CID 19220427
N-[2-(dimethylcarbamoylamino)ethyl]-3-(4-methylphenyl)propanamide
CID 108574246
N-[2-[[N,N'-dimethyl-N-[(4-methylphenyl)methyl]carbamimidoyl]amino]ethyl]furan-2-carboxamide
CID 111289097
N-[2-[[2-(4-ethoxyphenyl)acetyl]amino]ethyl]furan-2-carboxamide
CID 108539017

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(4-methylphenyl)propanoylamino]ethyl]furan-2-carboxamide?
The IUPAC name of N-[2-[3-(4-methylphenyl)propanoylamino]ethyl]furan-2-carboxamide (CID 43049335) is N-[2-[3-(4-methylphenyl)propanoylamino]ethyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-[3-(4-methylphenyl)propanoylamino]ethyl]furan-2-carboxamide?
The canonical SMILES for N-[2-[3-(4-methylphenyl)propanoylamino]ethyl]furan-2-carboxamide is Cc1ccc(CCC(=O)NCCNC(=O)c2ccco2)cc1.
What is the InChIKey of N-[2-[3-(4-methylphenyl)propanoylamino]ethyl]furan-2-carboxamide?
The InChIKey is AXMXAYJFKYTJEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3/c1-13-4-6-14(7-5-13)8-9-16(20)18-10-11-19-17(21)15-3-2-12-22-15/h2-7,12H,8-11H2,1H3,(H,18,20)(H,19,21).
What are the key properties of N-[2-[3-(4-methylphenyl)propanoylamino]ethyl]furan-2-carboxamide?
N-[2-[3-(4-methylphenyl)propanoylamino]ethyl]furan-2-carboxamide has a molecular weight of 300.36 g/mol, XLogP of 2.07, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(4-methylphenyl)propanoylamino]ethyl]furan-2-carboxamide is sourced from PubChem (CID 43049335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).