N-[5-(3-ethoxypropylcarbamoyl)-2-methylphenyl]furan-2-carboxamide

C18H22N2O4 — CID 17475602

IUPACN-[5-(3-ethoxypropylcarbamoyl)-2-methylphenyl]furan-2-carboxamide
SMILESCCOCCCNC(=O)c1ccc(C)c(NC(=O)c2ccco2)c1
InChIInChI=1S/C18H22N2O4/c1-3-23-10-5-9-19-17(21)14-8-7-13(2)15(12-14)20-18(22)16-6-4-11-24-16/h4,6-8,11-12H,3,5,9-10H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyVLVBFNSQRYMFIQ-UHFFFAOYSA-N
MW330.38 g/mol
LogP3.00
Rot. Bonds8

About N-[5-(3-ethoxypropylcarbamoyl)-2-methylphenyl]furan-2-carboxamide

N-[5-(3-ethoxypropylcarbamoyl)-2-methylphenyl]furan-2-carboxamide (PubChem CID 17475602) has the molecular formula C18H22N2O4 and a molecular weight of 330.38 g/mol. Its IUPAC name is N-[5-(3-ethoxypropylcarbamoyl)-2-methylphenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[5-(3-ethoxypropylcarbamoyl)-2-methylphenyl]furan-2-carboxamide
PubChem CID17475602
Molecular FormulaC18H22N2O4
Molecular Weight330.38 g/mol
Exact Mass330.16
IUPAC NameN-[5-(3-ethoxypropylcarbamoyl)-2-methylphenyl]furan-2-carboxamide
SMILESCCOCCCNC(=O)c1ccc(C)c(NC(=O)c2ccco2)c1
InChIInChI=1S/C18H22N2O4/c1-3-23-10-5-9-19-17(21)14-8-7-13(2)15(12-14)20-18(22)16-6-4-11-24-16/h4,6-8,11-12H,3,5,9-10H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyVLVBFNSQRYMFIQ-UHFFFAOYSA-N
XLogP3.00
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 53.00
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

N-[4-(3-ethoxypropylcarbamoyl)-2-(furan-2-carbonylamino)phenyl]furan-2-carboxamide
CID 177047514
N-[2-methyl-5-(nonylcarbamoyl)phenyl]furan-2-carboxamide
CID 55555001
N-[5-[[2-(ethoxymethyl)phenyl]methylcarbamoyl]-2-methylphenyl]furan-2-carboxamide
CID 37398643
N-[2-(3-ethoxypropylcarbamoyl)phenyl]furan-2-carboxamide
CID 17311579
N-[5-[(2-amino-2-methylpropyl)carbamoyl]-2-methylphenyl]furan-2-carboxamide
CID 119625719
N-[2-methyl-5-(4-morpholin-4-ylbutylcarbamoyl)phenyl]furan-2-carboxamide
CID 55742434
N-[2-methyl-5-[(3-methylphenyl)methylcarbamoyl]phenyl]furan-2-carboxamide
CID 33279792
N-[2-methyl-5-[(3-oxo-3-pyrrolidin-1-ylpropyl)carbamoyl]phenyl]furan-2-carboxamide
CID 18157076
N-[5-[[4-(difluoromethoxy)phenyl]methylcarbamoyl]-2-methylphenyl]furan-2-carboxamide
CID 42007354
N-[5-[(3-chlorophenyl)methylcarbamoyl]-2-methylphenyl]furan-2-carboxamide
CID 51158750
N-[2-methyl-5-[(2,4,5-trimethoxyphenyl)methylcarbamoyl]phenyl]furan-2-carboxamide
CID 27843323
N-[5-[[(4-ethoxy-3-methoxybenzoyl)amino]carbamoyl]-2-methylphenyl]furan-2-carboxamide
CID 4788258

Frequently Asked Questions

What is the IUPAC name of N-[5-(3-ethoxypropylcarbamoyl)-2-methylphenyl]furan-2-carboxamide?
The IUPAC name of N-[5-(3-ethoxypropylcarbamoyl)-2-methylphenyl]furan-2-carboxamide (CID 17475602) is N-[5-(3-ethoxypropylcarbamoyl)-2-methylphenyl]furan-2-carboxamide.
What is the SMILES notation for N-[5-(3-ethoxypropylcarbamoyl)-2-methylphenyl]furan-2-carboxamide?
The canonical SMILES for N-[5-(3-ethoxypropylcarbamoyl)-2-methylphenyl]furan-2-carboxamide is CCOCCCNC(=O)c1ccc(C)c(NC(=O)c2ccco2)c1.
What is the InChIKey of N-[5-(3-ethoxypropylcarbamoyl)-2-methylphenyl]furan-2-carboxamide?
The InChIKey is VLVBFNSQRYMFIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4/c1-3-23-10-5-9-19-17(21)14-8-7-13(2)15(12-14)20-18(22)16-6-4-11-24-16/h4,6-8,11-12H,3,5,9-10H2,1-2H3,(H,19,21)(H,20,22).
What are the key properties of N-[5-(3-ethoxypropylcarbamoyl)-2-methylphenyl]furan-2-carboxamide?
N-[5-(3-ethoxypropylcarbamoyl)-2-methylphenyl]furan-2-carboxamide has a molecular weight of 330.38 g/mol, XLogP of 3.00, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3-ethoxypropylcarbamoyl)-2-methylphenyl]furan-2-carboxamide is sourced from PubChem (CID 17475602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).