N-[2-methyl-5-(nonylcarbamoyl)phenyl]furan-2-carboxamide

C22H30N2O3 — CID 55555001

IUPACN-[2-methyl-5-(nonylcarbamoyl)phenyl]furan-2-carboxamide
SMILESCCCCCCCCCNC(=O)c1ccc(C)c(NC(=O)c2ccco2)c1
InChIInChI=1S/C22H30N2O3/c1-3-4-5-6-7-8-9-14-23-21(25)18-13-12-17(2)19(16-18)24-22(26)20-11-10-15-27-20/h10-13,15-16H,3-9,14H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyBRZOQZUBCASWFE-UHFFFAOYSA-N
MW370.49 g/mol
LogP5.32
Rot. Bonds11

About N-[2-methyl-5-(nonylcarbamoyl)phenyl]furan-2-carboxamide

N-[2-methyl-5-(nonylcarbamoyl)phenyl]furan-2-carboxamide (PubChem CID 55555001) has the molecular formula C22H30N2O3 and a molecular weight of 370.49 g/mol. Its IUPAC name is N-[2-methyl-5-(nonylcarbamoyl)phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-methyl-5-(nonylcarbamoyl)phenyl]furan-2-carboxamide
PubChem CID55555001
Molecular FormulaC22H30N2O3
Molecular Weight370.49 g/mol
Exact Mass370.23
IUPAC NameN-[2-methyl-5-(nonylcarbamoyl)phenyl]furan-2-carboxamide
SMILESCCCCCCCCCNC(=O)c1ccc(C)c(NC(=O)c2ccco2)c1
InChIInChI=1S/C22H30N2O3/c1-3-4-5-6-7-8-9-14-23-21(25)18-13-12-17(2)19(16-18)24-22(26)20-11-10-15-27-20/h10-13,15-16H,3-9,14H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyBRZOQZUBCASWFE-UHFFFAOYSA-N
XLogP5.32
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.49
LogP ≤ 55.32
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-[5-(3-ethoxypropylcarbamoyl)-2-methylphenyl]furan-2-carboxamide
CID 17475602
N-[2-methyl-5-(4-morpholin-4-ylbutylcarbamoyl)phenyl]furan-2-carboxamide
CID 55742434
3-benzamido-4-methyl-N-pentylbenzamide
CID 17226355
N-[5-[(2-amino-2-methylpropyl)carbamoyl]-2-methylphenyl]furan-2-carboxamide
CID 119625719
N-[5-[(3-chlorophenyl)methylcarbamoyl]-2-methylphenyl]furan-2-carboxamide
CID 51158750
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-[4-(3-ethoxypropylcarbamoyl)-2-(furan-2-carbonylamino)phenyl]furan-2-carboxamide
CID 177047514
N-[5-[[5-(ethylcarbamoyl)-2-methylphenyl]carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide
CID 55782529
N-[5-[(2-ethyl-6-methylphenyl)carbamoyl]-2-methylphenyl]furan-2-carboxamide
CID 8761819
N-[5-[[2-(ethoxymethyl)phenyl]methylcarbamoyl]-2-methylphenyl]furan-2-carboxamide
CID 37398643
N-[5-[(2-ethylsulfonylphenyl)carbamoyl]-2-methylphenyl]furan-2-carboxamide
CID 55613641

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-5-(nonylcarbamoyl)phenyl]furan-2-carboxamide?
The IUPAC name of N-[2-methyl-5-(nonylcarbamoyl)phenyl]furan-2-carboxamide (CID 55555001) is N-[2-methyl-5-(nonylcarbamoyl)phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-methyl-5-(nonylcarbamoyl)phenyl]furan-2-carboxamide?
The canonical SMILES for N-[2-methyl-5-(nonylcarbamoyl)phenyl]furan-2-carboxamide is CCCCCCCCCNC(=O)c1ccc(C)c(NC(=O)c2ccco2)c1.
What is the InChIKey of N-[2-methyl-5-(nonylcarbamoyl)phenyl]furan-2-carboxamide?
The InChIKey is BRZOQZUBCASWFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O3/c1-3-4-5-6-7-8-9-14-23-21(25)18-13-12-17(2)19(16-18)24-22(26)20-11-10-15-27-20/h10-13,15-16H,3-9,14H2,1-2H3,(H,23,25)(H,24,26).
What are the key properties of N-[2-methyl-5-(nonylcarbamoyl)phenyl]furan-2-carboxamide?
N-[2-methyl-5-(nonylcarbamoyl)phenyl]furan-2-carboxamide has a molecular weight of 370.49 g/mol, XLogP of 5.32, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-5-(nonylcarbamoyl)phenyl]furan-2-carboxamide is sourced from PubChem (CID 55555001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).