N-butan-2-yl-5-[[cyclohexyl-[(3-fluorophenyl)methyl]amino]methyl]furan-2-carboxamide

C23H31FN2O2 — CID 3652203

IUPACN-butan-2-yl-5-[[cyclohexyl-[(3-fluorophenyl)methyl]amino]methyl]furan-2-carboxamide
SMILESCCC(C)NC(=O)c1ccc(CN(Cc2cccc(F)c2)C2CCCCC2)o1
InChIInChI=1S/C23H31FN2O2/c1-3-17(2)25-23(27)22-13-12-21(28-22)16-26(20-10-5-4-6-11-20)15-18-8-7-9-19(24)14-18/h7-9,12-14,17,20H,3-6,10-11,15-16H2,1-2H3,(H,25,27)
InChIKeyBXDQKKURZAKYLG-UHFFFAOYSA-N
MW386.51 g/mol
LogP5.28
Rot. Bonds8

About N-butan-2-yl-5-[[cyclohexyl-[(3-fluorophenyl)methyl]amino]methyl]furan-2-carboxamide

N-butan-2-yl-5-[[cyclohexyl-[(3-fluorophenyl)methyl]amino]methyl]furan-2-carboxamide (PubChem CID 3652203) has the molecular formula C23H31FN2O2 and a molecular weight of 386.51 g/mol. Its IUPAC name is N-butan-2-yl-5-[[cyclohexyl-[(3-fluorophenyl)methyl]amino]methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-5-[[cyclohexyl-[(3-fluorophenyl)methyl]amino]methyl]furan-2-carboxamide
PubChem CID3652203
Molecular FormulaC23H31FN2O2
Molecular Weight386.51 g/mol
Exact Mass386.24
IUPAC NameN-butan-2-yl-5-[[cyclohexyl-[(3-fluorophenyl)methyl]amino]methyl]furan-2-carboxamide
SMILESCCC(C)NC(=O)c1ccc(CN(Cc2cccc(F)c2)C2CCCCC2)o1
InChIInChI=1S/C23H31FN2O2/c1-3-17(2)25-23(27)22-13-12-21(28-22)16-26(20-10-5-4-6-11-20)15-18-8-7-9-19(24)14-18/h7-9,12-14,17,20H,3-6,10-11,15-16H2,1-2H3,(H,25,27)
InChIKeyBXDQKKURZAKYLG-UHFFFAOYSA-N
XLogP5.28
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.51
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-butan-2-yl-5-[[cyclohexyl-[(3-fluorophenyl)methyl]amino]methyl]furan-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-butan-2-yl-5-[[(3-fluorophenyl)methyl-propan-2-ylamino]methyl]furan-2-carboxamide
CID 42750705
ethyl 4-[5-[[cyclohexyl-[(3-fluorophenyl)methyl]amino]methyl]furan-2-carbonyl]piperazine-1-carboxylate
CID 3528580
[5-[[(2S)-butan-2-yl]carbamoyl]furan-2-yl]methyl-[(3-fluorophenyl)methyl]-[(4-methoxyphenyl)methyl]azanium
CID 6973540
5-[[cyclohexyl-[(3-methylphenyl)methyl]amino]methyl]-N-[2-(dimethylamino)ethyl]furan-2-carboxamide
CID 5203089
N-[(2S)-butan-2-yl]-5-[(dibenzylamino)methyl]furan-2-carboxamide
CID 7482215
5-[[(4-bromophenyl)methyl-cyclohexylamino]methyl]-N-[(4-fluorophenyl)methyl]furan-2-carboxamide
CID 3929404
N-benzhydryl-5-[[cyclohexyl-[(2-methylphenyl)methyl]amino]methyl]furan-2-carboxamide
CID 42750819
5-[[cyclohexyl-[(3-methoxyphenyl)methyl]amino]methyl]-N-(2-morpholin-4-ylethyl)furan-2-carboxamide
CID 3353343
benzyl-[[5-[[(2S)-butan-2-yl]carbamoyl]furan-2-yl]methyl]-methylazanium
CID 6945953
5-[[cyclohexyl-[(3-methylphenyl)methyl]amino]methyl]-N-[2-(2,4-dichlorophenyl)ethyl]furan-2-carboxamide
CID 5174076
5-[[(2-chlorophenyl)methyl-[(3-fluorophenyl)methyl]amino]methyl]-N-cyclohexylfuran-2-carboxamide
CID 5038948
5-[[(3,4-dimethoxyphenyl)methyl-[(3-fluorophenyl)methyl]amino]methyl]-N-(3-methylbutan-2-yl)furan-2-carboxamide
CID 42751023

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-5-[[cyclohexyl-[(3-fluorophenyl)methyl]amino]methyl]furan-2-carboxamide?
The IUPAC name of N-butan-2-yl-5-[[cyclohexyl-[(3-fluorophenyl)methyl]amino]methyl]furan-2-carboxamide (CID 3652203) is N-butan-2-yl-5-[[cyclohexyl-[(3-fluorophenyl)methyl]amino]methyl]furan-2-carboxamide.
What is the SMILES notation for N-butan-2-yl-5-[[cyclohexyl-[(3-fluorophenyl)methyl]amino]methyl]furan-2-carboxamide?
The canonical SMILES for N-butan-2-yl-5-[[cyclohexyl-[(3-fluorophenyl)methyl]amino]methyl]furan-2-carboxamide is CCC(C)NC(=O)c1ccc(CN(Cc2cccc(F)c2)C2CCCCC2)o1.
What is the InChIKey of N-butan-2-yl-5-[[cyclohexyl-[(3-fluorophenyl)methyl]amino]methyl]furan-2-carboxamide?
The InChIKey is BXDQKKURZAKYLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31FN2O2/c1-3-17(2)25-23(27)22-13-12-21(28-22)16-26(20-10-5-4-6-11-20)15-18-8-7-9-19(24)14-18/h7-9,12-14,17,20H,3-6,10-11,15-16H2,1-2H3,(H,25,27).
What are the key properties of N-butan-2-yl-5-[[cyclohexyl-[(3-fluorophenyl)methyl]amino]methyl]furan-2-carboxamide?
N-butan-2-yl-5-[[cyclohexyl-[(3-fluorophenyl)methyl]amino]methyl]furan-2-carboxamide has a molecular weight of 386.51 g/mol, XLogP of 5.28, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-5-[[cyclohexyl-[(3-fluorophenyl)methyl]amino]methyl]furan-2-carboxamide is sourced from PubChem (CID 3652203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).