N-[5-[[3-(3-cyanopropoxy)phenyl]carbamoyl]-2-methylphenyl]furan-2-carboxamide

C23H21N3O4 — CID 55879850

IUPACN-[5-[[3-(3-cyanopropoxy)phenyl]carbamoyl]-2-methylphenyl]furan-2-carboxamide
SMILESCc1ccc(C(=O)Nc2cccc(OCCCC#N)c2)cc1NC(=O)c1ccco1
InChIInChI=1S/C23H21N3O4/c1-16-9-10-17(14-20(16)26-23(28)21-8-5-13-30-21)22(27)25-18-6-4-7-19(15-18)29-12-3-2-11-24/h4-10,13-15H,2-3,12H2,1H3,(H,25,27)(H,26,28)
InChIKeyNUTSIUBZHWYQMH-UHFFFAOYSA-N
MW403.44 g/mol
LogP4.78
Rot. Bonds8

About N-[5-[[3-(3-cyanopropoxy)phenyl]carbamoyl]-2-methylphenyl]furan-2-carboxamide

N-[5-[[3-(3-cyanopropoxy)phenyl]carbamoyl]-2-methylphenyl]furan-2-carboxamide (PubChem CID 55879850) has the molecular formula C23H21N3O4 and a molecular weight of 403.44 g/mol. Its IUPAC name is N-[5-[[3-(3-cyanopropoxy)phenyl]carbamoyl]-2-methylphenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[5-[[3-(3-cyanopropoxy)phenyl]carbamoyl]-2-methylphenyl]furan-2-carboxamide
PubChem CID55879850
Molecular FormulaC23H21N3O4
Molecular Weight403.44 g/mol
Exact Mass403.15
IUPAC NameN-[5-[[3-(3-cyanopropoxy)phenyl]carbamoyl]-2-methylphenyl]furan-2-carboxamide
SMILESCc1ccc(C(=O)Nc2cccc(OCCCC#N)c2)cc1NC(=O)c1ccco1
InChIInChI=1S/C23H21N3O4/c1-16-9-10-17(14-20(16)26-23(28)21-8-5-13-30-21)22(27)25-18-6-4-7-19(15-18)29-12-3-2-11-24/h4-10,13-15H,2-3,12H2,1H3,(H,25,27)(H,26,28)
InChIKeyNUTSIUBZHWYQMH-UHFFFAOYSA-N
XLogP4.78
TPSA104.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.44
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[5-[(3-carbamoylphenyl)carbamoyl]-2-methylphenyl]furan-2-carboxamide
CID 78779252
N-[3-(3-methylbutoxy)phenyl]furan-2-carboxamide
CID 17097239
N-[3-(3-cyanopropoxy)phenyl]-4-(methylsulfanylmethyl)benzamide
CID 87026598
N-[3-(3-cyanopropoxy)phenyl]-4-methylsulfanylbenzamide
CID 87026604
[(1R)-1-cyanoethyl] 3-(furan-2-carbonylamino)-4-methylbenzoate
CID 2605458
N-[3-(3-cyanopropoxy)phenyl]-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 55878584
N-[2-methyl-5-[(3-methylphenyl)methylcarbamoyl]phenyl]furan-2-carboxamide
CID 33279792
N-[5-(3-ethoxypropylcarbamoyl)-2-methylphenyl]furan-2-carboxamide
CID 17475602
2-(4-methoxyphenoxy)ethyl 3-(furan-2-carbonylamino)-4-methylbenzoate
CID 4803837
N-[5-[(2-ethyl-6-methylphenyl)carbamoyl]-2-methylphenyl]furan-2-carboxamide
CID 8761819
N-[5-[[3-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]carbamoyl]-2-methylphenyl]furan-2-carboxamide
CID 53057012
N-(3-butoxyphenyl)-3-iodo-4-methylbenzamide
CID 17095050

Frequently Asked Questions

What is the IUPAC name of N-[5-[[3-(3-cyanopropoxy)phenyl]carbamoyl]-2-methylphenyl]furan-2-carboxamide?
The IUPAC name of N-[5-[[3-(3-cyanopropoxy)phenyl]carbamoyl]-2-methylphenyl]furan-2-carboxamide (CID 55879850) is N-[5-[[3-(3-cyanopropoxy)phenyl]carbamoyl]-2-methylphenyl]furan-2-carboxamide.
What is the SMILES notation for N-[5-[[3-(3-cyanopropoxy)phenyl]carbamoyl]-2-methylphenyl]furan-2-carboxamide?
The canonical SMILES for N-[5-[[3-(3-cyanopropoxy)phenyl]carbamoyl]-2-methylphenyl]furan-2-carboxamide is Cc1ccc(C(=O)Nc2cccc(OCCCC#N)c2)cc1NC(=O)c1ccco1.
What is the InChIKey of N-[5-[[3-(3-cyanopropoxy)phenyl]carbamoyl]-2-methylphenyl]furan-2-carboxamide?
The InChIKey is NUTSIUBZHWYQMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O4/c1-16-9-10-17(14-20(16)26-23(28)21-8-5-13-30-21)22(27)25-18-6-4-7-19(15-18)29-12-3-2-11-24/h4-10,13-15H,2-3,12H2,1H3,(H,25,27)(H,26,28).
What are the key properties of N-[5-[[3-(3-cyanopropoxy)phenyl]carbamoyl]-2-methylphenyl]furan-2-carboxamide?
N-[5-[[3-(3-cyanopropoxy)phenyl]carbamoyl]-2-methylphenyl]furan-2-carboxamide has a molecular weight of 403.44 g/mol, XLogP of 4.78, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[3-(3-cyanopropoxy)phenyl]carbamoyl]-2-methylphenyl]furan-2-carboxamide is sourced from PubChem (CID 55879850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).