N-[2-[(4-propan-2-yloxybenzoyl)amino]ethyl]furan-2-carboxamide

C17H20N2O4 — CID 6490907

IUPACN-[2-[(4-propan-2-yloxybenzoyl)amino]ethyl]furan-2-carboxamide
SMILESCC(C)Oc1ccc(C(=O)NCCNC(=O)c2ccco2)cc1
InChIInChI=1S/C17H20N2O4/c1-12(2)23-14-7-5-13(6-8-14)16(20)18-9-10-19-17(21)15-4-3-11-22-15/h3-8,11-12H,9-10H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyJOSZQEROBHHGEG-UHFFFAOYSA-N
MW316.36 g/mol
LogP2.23
Rot. Bonds7

About N-[2-[(4-propan-2-yloxybenzoyl)amino]ethyl]furan-2-carboxamide

N-[2-[(4-propan-2-yloxybenzoyl)amino]ethyl]furan-2-carboxamide (PubChem CID 6490907) has the molecular formula C17H20N2O4 and a molecular weight of 316.36 g/mol. Its IUPAC name is N-[2-[(4-propan-2-yloxybenzoyl)amino]ethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-[(4-propan-2-yloxybenzoyl)amino]ethyl]furan-2-carboxamide
PubChem CID6490907
Molecular FormulaC17H20N2O4
Molecular Weight316.36 g/mol
Exact Mass316.14
IUPAC NameN-[2-[(4-propan-2-yloxybenzoyl)amino]ethyl]furan-2-carboxamide
SMILESCC(C)Oc1ccc(C(=O)NCCNC(=O)c2ccco2)cc1
InChIInChI=1S/C17H20N2O4/c1-12(2)23-14-7-5-13(6-8-14)16(20)18-9-10-19-17(21)15-4-3-11-22-15/h3-8,11-12H,9-10H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyJOSZQEROBHHGEG-UHFFFAOYSA-N
XLogP2.23
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 52.23
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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Related Compounds

A 317920
CID 10389213
CL82198
CID 2777
4-Tert-butyl-N-(2-furylmethyl)benzamide
CID 674888
N-(2-Furylmethyl)benzamide
CID 236716
N-(2-Furylmethyl)-2-methoxybenzamide
CID 803371
4-Ethoxy-N-(tetrahydro-2-furanylmethyl)benzamide
CID 2850672
n-(2-Furylmethyl)-2-phenoxyacetamide
CID 240163
N-benzylfuran-2-carboxamide
CID 347531
Furan-2-carboxamide deriv., 17
CID 44236903
Furan-2-carboxamide deriv., 19
CID 44236905
4-hexoxy-~{N}-[(2~{S})-3-methyl-1-(oxidanylamino)-1-oxidanylidene-butan-2-yl]benzamide
CID 134179433
N-[(2S)-3-methyl-1-[[(2S)-4-methyl-1-oxo-1-[[(2S)-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]pentan-2-yl]amino]-1-oxobutan-2-yl]furan-2-carboxamide
CID 162515877

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-propan-2-yloxybenzoyl)amino]ethyl]furan-2-carboxamide?
The IUPAC name of N-[2-[(4-propan-2-yloxybenzoyl)amino]ethyl]furan-2-carboxamide (CID 6490907) is N-[2-[(4-propan-2-yloxybenzoyl)amino]ethyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-[(4-propan-2-yloxybenzoyl)amino]ethyl]furan-2-carboxamide?
The canonical SMILES for N-[2-[(4-propan-2-yloxybenzoyl)amino]ethyl]furan-2-carboxamide is CC(C)Oc1ccc(C(=O)NCCNC(=O)c2ccco2)cc1.
What is the InChIKey of N-[2-[(4-propan-2-yloxybenzoyl)amino]ethyl]furan-2-carboxamide?
The InChIKey is JOSZQEROBHHGEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4/c1-12(2)23-14-7-5-13(6-8-14)16(20)18-9-10-19-17(21)15-4-3-11-22-15/h3-8,11-12H,9-10H2,1-2H3,(H,18,20)(H,19,21).
What are the key properties of N-[2-[(4-propan-2-yloxybenzoyl)amino]ethyl]furan-2-carboxamide?
N-[2-[(4-propan-2-yloxybenzoyl)amino]ethyl]furan-2-carboxamide has a molecular weight of 316.36 g/mol, XLogP of 2.23, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-propan-2-yloxybenzoyl)amino]ethyl]furan-2-carboxamide is sourced from PubChem (CID 6490907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).