N-[3-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]carbamoyl]phenyl]furan-2-carboxamide

C26H29N3O3 — CID 55871483

IUPACN-[3-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]carbamoyl]phenyl]furan-2-carboxamide
SMILESCN(Cc1ccccc1NC(=O)c1cccc(NC(=O)c2ccco2)c1)C1CCCCC1
InChIInChI=1S/C26H29N3O3/c1-29(22-12-3-2-4-13-22)18-20-9-5-6-14-23(20)28-25(30)19-10-7-11-21(17-19)27-26(31)24-15-8-16-32-24/h5-11,14-17,22H,2-4,12-13,18H2,1H3,(H,27,31)(H,28,30)
InChIKeyKJOIDMGMUOMGRV-UHFFFAOYSA-N
MW431.54 g/mol
LogP5.55
Rot. Bonds7

About N-[3-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]carbamoyl]phenyl]furan-2-carboxamide

N-[3-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]carbamoyl]phenyl]furan-2-carboxamide (PubChem CID 55871483) has the molecular formula C26H29N3O3 and a molecular weight of 431.54 g/mol. Its IUPAC name is N-[3-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]carbamoyl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]carbamoyl]phenyl]furan-2-carboxamide
PubChem CID55871483
Molecular FormulaC26H29N3O3
Molecular Weight431.54 g/mol
Exact Mass431.22
IUPAC NameN-[3-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]carbamoyl]phenyl]furan-2-carboxamide
SMILESCN(Cc1ccccc1NC(=O)c1cccc(NC(=O)c2ccco2)c1)C1CCCCC1
InChIInChI=1S/C26H29N3O3/c1-29(22-12-3-2-4-13-22)18-20-9-5-6-14-23(20)28-25(30)19-10-7-11-21(17-19)27-26(31)24-15-8-16-32-24/h5-11,14-17,22H,2-4,12-13,18H2,1H3,(H,27,31)(H,28,30)
InChIKeyKJOIDMGMUOMGRV-UHFFFAOYSA-N
XLogP5.55
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.54
LogP ≤ 55.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[[2-(2-amino-2-oxoethyl)phenyl]carbamoyl]phenyl]furan-2-carboxamide
CID 55873277
N-[3-[(2-benzamidophenyl)carbamoyl]phenyl]furan-2-carboxamide
CID 55934006
N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]furan-3-carboxamide
CID 46554715
N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-4-ethylbenzamide
CID 18158678
3-[[2-[2-[[cyclohexyl(methyl)amino]methyl]anilino]acetyl]amino]-N-ethylbenzamide
CID 41391031
N-[2-[[acetyl(methyl)amino]methyl]phenyl]-3-(cyclohexanecarbonylamino)benzamide
CID 32582405
N-[3-[(3-acetamidophenyl)carbamoyl]phenyl]furan-2-carboxamide
CID 27244358
N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-4-methylsulfinylbenzamide
CID 55552886
N-[3-[[cyclohexyl(2,2-dimethylpropanoyl)amino]methyl]-4-(dimethylamino)phenyl]furan-2-carboxamide
CID 42817047
N-[3-[(4-acetamidophenyl)carbamoyl]phenyl]furan-2-carboxamide
CID 51179863
N-[3-[[3-(piperidin-1-ylmethyl)phenyl]carbamoyl]phenyl]furan-2-carboxamide
CID 55851171
3-acetyl-N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]benzenesulfonamide
CID 36575327

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]carbamoyl]phenyl]furan-2-carboxamide?
The IUPAC name of N-[3-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]carbamoyl]phenyl]furan-2-carboxamide (CID 55871483) is N-[3-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]carbamoyl]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[3-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]carbamoyl]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[3-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]carbamoyl]phenyl]furan-2-carboxamide is CN(Cc1ccccc1NC(=O)c1cccc(NC(=O)c2ccco2)c1)C1CCCCC1.
What is the InChIKey of N-[3-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]carbamoyl]phenyl]furan-2-carboxamide?
The InChIKey is KJOIDMGMUOMGRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O3/c1-29(22-12-3-2-4-13-22)18-20-9-5-6-14-23(20)28-25(30)19-10-7-11-21(17-19)27-26(31)24-15-8-16-32-24/h5-11,14-17,22H,2-4,12-13,18H2,1H3,(H,27,31)(H,28,30).
What are the key properties of N-[3-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]carbamoyl]phenyl]furan-2-carboxamide?
N-[3-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]carbamoyl]phenyl]furan-2-carboxamide has a molecular weight of 431.54 g/mol, XLogP of 5.55, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]carbamoyl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 55871483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).