[5-[[cyclohexyl-[(2-methylphenyl)methyl]amino]methyl]furan-2-yl]-(4-ethylpiperazin-1-yl)methanone

C26H37N3O2 — CID 42750820

IUPAC[5-[[cyclohexyl-[(2-methylphenyl)methyl]amino]methyl]furan-2-yl]-(4-ethylpiperazin-1-yl)methanone
SMILESCCN1CCN(C(=O)c2ccc(CN(Cc3ccccc3C)C3CCCCC3)o2)CC1
InChIInChI=1S/C26H37N3O2/c1-3-27-15-17-28(18-16-27)26(30)25-14-13-24(31-25)20-29(23-11-5-4-6-12-23)19-22-10-8-7-9-21(22)2/h7-10,13-14,23H,3-6,11-12,15-20H2,1-2H3
InChIKeyXDWPHKVXQAHVNQ-UHFFFAOYSA-N
MW423.60 g/mol
LogP4.70
Rot. Bonds7

About [5-[[cyclohexyl-[(2-methylphenyl)methyl]amino]methyl]furan-2-yl]-(4-ethylpiperazin-1-yl)methanone

[5-[[cyclohexyl-[(2-methylphenyl)methyl]amino]methyl]furan-2-yl]-(4-ethylpiperazin-1-yl)methanone (PubChem CID 42750820) has the molecular formula C26H37N3O2 and a molecular weight of 423.60 g/mol. Its IUPAC name is [5-[[cyclohexyl-[(2-methylphenyl)methyl]amino]methyl]furan-2-yl]-(4-ethylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[5-[[cyclohexyl-[(2-methylphenyl)methyl]amino]methyl]furan-2-yl]-(4-ethylpiperazin-1-yl)methanone
PubChem CID42750820
Molecular FormulaC26H37N3O2
Molecular Weight423.60 g/mol
Exact Mass423.29
IUPAC Name[5-[[cyclohexyl-[(2-methylphenyl)methyl]amino]methyl]furan-2-yl]-(4-ethylpiperazin-1-yl)methanone
SMILESCCN1CCN(C(=O)c2ccc(CN(Cc3ccccc3C)C3CCCCC3)o2)CC1
InChIInChI=1S/C26H37N3O2/c1-3-27-15-17-28(18-16-27)26(30)25-14-13-24(31-25)20-29(23-11-5-4-6-12-23)19-22-10-8-7-9-21(22)2/h7-10,13-14,23H,3-6,11-12,15-20H2,1-2H3
InChIKeyXDWPHKVXQAHVNQ-UHFFFAOYSA-N
XLogP4.70
TPSA39.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.60
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [5-[[cyclohexyl-[(2-methylphenyl)methyl]amino]methyl]furan-2-yl]-(4-ethylpiperazin-1-yl)methanone 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

1-[4-[5-[[(4-bromophenyl)methyl-cyclohexylamino]methyl]furan-2-carbonyl]piperazin-1-yl]ethanone
CID 42750851
[5-[[benzyl(cyclohexyl)amino]methyl]furan-2-yl]-morpholin-4-ylmethanone
CID 5198933
N-benzhydryl-5-[[cyclohexyl-[(2-methylphenyl)methyl]amino]methyl]furan-2-carboxamide
CID 42750819
(4-benzylpiperazin-1-yl)-[5-[[tert-butyl-[(2-methylphenyl)methyl]amino]methyl]furan-2-yl]methanone
CID 42750987
ethyl 4-[5-[[(2-methylphenyl)methyl-propan-2-ylamino]methyl]furan-2-carbonyl]piperazine-1-carboxylate
CID 42750698
[5-[[(2-methylphenyl)methyl-propan-2-ylamino]methyl]furan-2-yl]-[4-(2-methylphenyl)piperazin-1-yl]methanone
CID 4537846
[5-[(dimethylamino)methyl]furan-2-yl]-[(3S)-3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]methanone
CID 25460748
3-[1-[5-[[cyclohexyl-[(3-methylphenyl)methyl]amino]methyl]furan-2-carbonyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 3940788
5-[[cyclopropyl-[(2-fluorophenyl)methyl]amino]methyl]furan-2-carboxylic acid
CID 42750343
(4-ethylpiperazin-1-yl)-[5-[[(3-methylphenyl)methyl-propan-2-ylamino]methyl]furan-2-yl]methanone
CID 42750794
(4-ethylpiperazin-1-yl)-[5-[(4-methylphenyl)methylsulfonylmethyl]furan-2-yl]methanone
CID 3312985
[5-[[cyclohexyl-[[3-(trifluoromethyl)phenyl]methyl]amino]methyl]furan-2-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 5199730

Frequently Asked Questions

What is the IUPAC name of [5-[[cyclohexyl-[(2-methylphenyl)methyl]amino]methyl]furan-2-yl]-(4-ethylpiperazin-1-yl)methanone?
The IUPAC name of [5-[[cyclohexyl-[(2-methylphenyl)methyl]amino]methyl]furan-2-yl]-(4-ethylpiperazin-1-yl)methanone (CID 42750820) is [5-[[cyclohexyl-[(2-methylphenyl)methyl]amino]methyl]furan-2-yl]-(4-ethylpiperazin-1-yl)methanone.
What is the SMILES notation for [5-[[cyclohexyl-[(2-methylphenyl)methyl]amino]methyl]furan-2-yl]-(4-ethylpiperazin-1-yl)methanone?
The canonical SMILES for [5-[[cyclohexyl-[(2-methylphenyl)methyl]amino]methyl]furan-2-yl]-(4-ethylpiperazin-1-yl)methanone is CCN1CCN(C(=O)c2ccc(CN(Cc3ccccc3C)C3CCCCC3)o2)CC1.
What is the InChIKey of [5-[[cyclohexyl-[(2-methylphenyl)methyl]amino]methyl]furan-2-yl]-(4-ethylpiperazin-1-yl)methanone?
The InChIKey is XDWPHKVXQAHVNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H37N3O2/c1-3-27-15-17-28(18-16-27)26(30)25-14-13-24(31-25)20-29(23-11-5-4-6-12-23)19-22-10-8-7-9-21(22)2/h7-10,13-14,23H,3-6,11-12,15-20H2,1-2H3.
What are the key properties of [5-[[cyclohexyl-[(2-methylphenyl)methyl]amino]methyl]furan-2-yl]-(4-ethylpiperazin-1-yl)methanone?
[5-[[cyclohexyl-[(2-methylphenyl)methyl]amino]methyl]furan-2-yl]-(4-ethylpiperazin-1-yl)methanone has a molecular weight of 423.60 g/mol, XLogP of 4.70, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[[cyclohexyl-[(2-methylphenyl)methyl]amino]methyl]furan-2-yl]-(4-ethylpiperazin-1-yl)methanone is sourced from PubChem (CID 42750820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).