N-[2-[[2-(4-methylphenoxy)acetyl]amino]ethyl]furan-2-carboxamide

C16H18N2O4 — CID 6490915

IUPACN-[2-[[2-(4-methylphenoxy)acetyl]amino]ethyl]furan-2-carboxamide
SMILESCc1ccc(OCC(=O)NCCNC(=O)c2ccco2)cc1
InChIInChI=1S/C16H18N2O4/c1-12-4-6-13(7-5-12)22-11-15(19)17-8-9-18-16(20)14-3-2-10-21-14/h2-7,10H,8-9,11H2,1H3,(H,17,19)(H,18,20)
InChIKeyVRXXAVNVMMLEIE-UHFFFAOYSA-N
MW302.33 g/mol
LogP1.51
Rot. Bonds7

About N-[2-[[2-(4-methylphenoxy)acetyl]amino]ethyl]furan-2-carboxamide

N-[2-[[2-(4-methylphenoxy)acetyl]amino]ethyl]furan-2-carboxamide (PubChem CID 6490915) has the molecular formula C16H18N2O4 and a molecular weight of 302.33 g/mol. Its IUPAC name is N-[2-[[2-(4-methylphenoxy)acetyl]amino]ethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-[[2-(4-methylphenoxy)acetyl]amino]ethyl]furan-2-carboxamide
PubChem CID6490915
Molecular FormulaC16H18N2O4
Molecular Weight302.33 g/mol
Exact Mass302.13
IUPAC NameN-[2-[[2-(4-methylphenoxy)acetyl]amino]ethyl]furan-2-carboxamide
SMILESCc1ccc(OCC(=O)NCCNC(=O)c2ccco2)cc1
InChIInChI=1S/C16H18N2O4/c1-12-4-6-13(7-5-12)22-11-15(19)17-8-9-18-16(20)14-3-2-10-21-14/h2-7,10H,8-9,11H2,1H3,(H,17,19)(H,18,20)
InChIKeyVRXXAVNVMMLEIE-UHFFFAOYSA-N
XLogP1.51
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-(4-methylphenoxy)acetyl]amino]ethyl]furan-2-carboxamide?
The IUPAC name of N-[2-[[2-(4-methylphenoxy)acetyl]amino]ethyl]furan-2-carboxamide (CID 6490915) is N-[2-[[2-(4-methylphenoxy)acetyl]amino]ethyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-[[2-(4-methylphenoxy)acetyl]amino]ethyl]furan-2-carboxamide?
The canonical SMILES for N-[2-[[2-(4-methylphenoxy)acetyl]amino]ethyl]furan-2-carboxamide is Cc1ccc(OCC(=O)NCCNC(=O)c2ccco2)cc1.
What is the InChIKey of N-[2-[[2-(4-methylphenoxy)acetyl]amino]ethyl]furan-2-carboxamide?
The InChIKey is VRXXAVNVMMLEIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O4/c1-12-4-6-13(7-5-12)22-11-15(19)17-8-9-18-16(20)14-3-2-10-21-14/h2-7,10H,8-9,11H2,1H3,(H,17,19)(H,18,20).
What are the key properties of N-[2-[[2-(4-methylphenoxy)acetyl]amino]ethyl]furan-2-carboxamide?
N-[2-[[2-(4-methylphenoxy)acetyl]amino]ethyl]furan-2-carboxamide has a molecular weight of 302.33 g/mol, XLogP of 1.51, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-(4-methylphenoxy)acetyl]amino]ethyl]furan-2-carboxamide is sourced from PubChem (CID 6490915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).