N-[3-[[cyclohexyl(2,2-dimethylpropanoyl)amino]methyl]-4-(dimethylamino)phenyl]furan-2-carboxamide

C25H35N3O3 — CID 42817047

IUPACN-[3-[[cyclohexyl(2,2-dimethylpropanoyl)amino]methyl]-4-(dimethylamino)phenyl]furan-2-carboxamide
SMILESCN(C)c1ccc(NC(=O)c2ccco2)cc1CN(C(=O)C(C)(C)C)C1CCCCC1
InChIInChI=1S/C25H35N3O3/c1-25(2,3)24(30)28(20-10-7-6-8-11-20)17-18-16-19(13-14-21(18)27(4)5)26-23(29)22-12-9-15-31-22/h9,12-16,20H,6-8,10-11,17H2,1-5H3,(H,26,29)
InChIKeyGICGQMRINQNDOW-UHFFFAOYSA-N
MW425.57 g/mol
LogP5.31
Rot. Bonds6

About N-[3-[[cyclohexyl(2,2-dimethylpropanoyl)amino]methyl]-4-(dimethylamino)phenyl]furan-2-carboxamide

N-[3-[[cyclohexyl(2,2-dimethylpropanoyl)amino]methyl]-4-(dimethylamino)phenyl]furan-2-carboxamide (PubChem CID 42817047) has the molecular formula C25H35N3O3 and a molecular weight of 425.57 g/mol. Its IUPAC name is N-[3-[[cyclohexyl(2,2-dimethylpropanoyl)amino]methyl]-4-(dimethylamino)phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-[[cyclohexyl(2,2-dimethylpropanoyl)amino]methyl]-4-(dimethylamino)phenyl]furan-2-carboxamide
PubChem CID42817047
Molecular FormulaC25H35N3O3
Molecular Weight425.57 g/mol
Exact Mass425.27
IUPAC NameN-[3-[[cyclohexyl(2,2-dimethylpropanoyl)amino]methyl]-4-(dimethylamino)phenyl]furan-2-carboxamide
SMILESCN(C)c1ccc(NC(=O)c2ccco2)cc1CN(C(=O)C(C)(C)C)C1CCCCC1
InChIInChI=1S/C25H35N3O3/c1-25(2,3)24(30)28(20-10-7-6-8-11-20)17-18-16-19(13-14-21(18)27(4)5)26-23(29)22-12-9-15-31-22/h9,12-16,20H,6-8,10-11,17H2,1-5H3,(H,26,29)
InChIKeyGICGQMRINQNDOW-UHFFFAOYSA-N
XLogP5.31
TPSA65.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.57
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[3-[[cyclohexyl(thiophene-2-carbonyl)amino]methyl]-4-(dimethylamino)phenyl]furan-2-carboxamide
CID 42817045
N-[4-(dimethylamino)-3-[[2,2-dimethylpropanoyl-[(4-fluorophenyl)methyl]amino]methyl]phenyl]furan-2-carboxamide
CID 42816360
N-[3-[[acetyl(oxolan-2-ylmethyl)amino]methyl]-4-(dimethylamino)phenyl]furan-2-carboxamide
CID 46138386
N-[3-[[tert-butylcarbamoyl(furan-2-ylmethyl)amino]methyl]-4-(dimethylamino)phenyl]furan-2-carboxamide
CID 46138547
N-[3-amino-4-(dimethylamino)phenyl]furan-2-carboxamide
CID 91676109
N-[3-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]carbamoyl]phenyl]furan-2-carboxamide
CID 55871483
N-[3-[[tert-butylcarbamoyl(1-phenylethyl)amino]methyl]-4-(dimethylamino)phenyl]furan-2-carboxamide
CID 42817506
N-[4-(dimethylamino)-3-[[2-ethylbutanoyl(furan-2-ylmethyl)amino]methyl]phenyl]furan-2-carboxamide
CID 42817244
N-[3-[[cyclohexyl(propanoyl)amino]methyl]-4-(dimethylamino)phenyl]cyclobutanecarboxamide
CID 42816939
N-[3-amino-4-(diethylamino)phenyl]furan-2-carboxamide
CID 91676108
N-[4-(cyclohexanecarbonylamino)phenyl]furan-2-carboxamide
CID 3149814
3-cyclohexyl-4-[4-(furan-2-carbonylamino)anilino]-3-methyl-4-oxobutanoic acid
CID 119107601

Frequently Asked Questions

What is the IUPAC name of N-[3-[[cyclohexyl(2,2-dimethylpropanoyl)amino]methyl]-4-(dimethylamino)phenyl]furan-2-carboxamide?
The IUPAC name of N-[3-[[cyclohexyl(2,2-dimethylpropanoyl)amino]methyl]-4-(dimethylamino)phenyl]furan-2-carboxamide (CID 42817047) is N-[3-[[cyclohexyl(2,2-dimethylpropanoyl)amino]methyl]-4-(dimethylamino)phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[3-[[cyclohexyl(2,2-dimethylpropanoyl)amino]methyl]-4-(dimethylamino)phenyl]furan-2-carboxamide?
The canonical SMILES for N-[3-[[cyclohexyl(2,2-dimethylpropanoyl)amino]methyl]-4-(dimethylamino)phenyl]furan-2-carboxamide is CN(C)c1ccc(NC(=O)c2ccco2)cc1CN(C(=O)C(C)(C)C)C1CCCCC1.
What is the InChIKey of N-[3-[[cyclohexyl(2,2-dimethylpropanoyl)amino]methyl]-4-(dimethylamino)phenyl]furan-2-carboxamide?
The InChIKey is GICGQMRINQNDOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N3O3/c1-25(2,3)24(30)28(20-10-7-6-8-11-20)17-18-16-19(13-14-21(18)27(4)5)26-23(29)22-12-9-15-31-22/h9,12-16,20H,6-8,10-11,17H2,1-5H3,(H,26,29).
What are the key properties of N-[3-[[cyclohexyl(2,2-dimethylpropanoyl)amino]methyl]-4-(dimethylamino)phenyl]furan-2-carboxamide?
N-[3-[[cyclohexyl(2,2-dimethylpropanoyl)amino]methyl]-4-(dimethylamino)phenyl]furan-2-carboxamide has a molecular weight of 425.57 g/mol, XLogP of 5.31, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[cyclohexyl(2,2-dimethylpropanoyl)amino]methyl]-4-(dimethylamino)phenyl]furan-2-carboxamide is sourced from PubChem (CID 42817047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).