N-[4-[[[ethylamino-[[1-(2-hydroxyethyl)cyclohexyl]methylamino]methylidene]amino]methyl]phenyl]furan-2-carboxamide

C24H34N4O3 — CID 109477112

IUPACN-[4-[[[ethylamino-[[1-(2-hydroxyethyl)cyclohexyl]methylamino]methylidene]amino]methyl]phenyl]furan-2-carboxamide
SMILESCCN/C(=N\Cc1ccc(NC(=O)c2ccco2)cc1)NCC1(CCO)CCCCC1
InChIInChI=1S/C24H34N4O3/c1-2-25-23(27-18-24(14-15-29)12-4-3-5-13-24)26-17-19-8-10-20(11-9-19)28-22(30)21-7-6-16-31-21/h6-11,16,29H,2-5,12-15,17-18H2,1H3,(H,28,30)(H2,25,26,27)
InChIKeyOBFBSQQNDZQYNW-UHFFFAOYSA-N
MW426.56 g/mol
LogP3.92
Rot. Bonds9

About N-[4-[[[ethylamino-[[1-(2-hydroxyethyl)cyclohexyl]methylamino]methylidene]amino]methyl]phenyl]furan-2-carboxamide

N-[4-[[[ethylamino-[[1-(2-hydroxyethyl)cyclohexyl]methylamino]methylidene]amino]methyl]phenyl]furan-2-carboxamide (PubChem CID 109477112) has the molecular formula C24H34N4O3 and a molecular weight of 426.56 g/mol. Its IUPAC name is N-[4-[[[ethylamino-[[1-(2-hydroxyethyl)cyclohexyl]methylamino]methylidene]amino]methyl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-[[[ethylamino-[[1-(2-hydroxyethyl)cyclohexyl]methylamino]methylidene]amino]methyl]phenyl]furan-2-carboxamide
PubChem CID109477112
Molecular FormulaC24H34N4O3
Molecular Weight426.56 g/mol
Exact Mass426.26
IUPAC NameN-[4-[[[ethylamino-[[1-(2-hydroxyethyl)cyclohexyl]methylamino]methylidene]amino]methyl]phenyl]furan-2-carboxamide
SMILESCCN/C(=N\Cc1ccc(NC(=O)c2ccco2)cc1)NCC1(CCO)CCCCC1
InChIInChI=1S/C24H34N4O3/c1-2-25-23(27-18-24(14-15-29)12-4-3-5-13-24)26-17-19-8-10-20(11-9-19)28-22(30)21-7-6-16-31-21/h6-11,16,29H,2-5,12-15,17-18H2,1H3,(H,28,30)(H2,25,26,27)
InChIKeyOBFBSQQNDZQYNW-UHFFFAOYSA-N
XLogP3.92
TPSA98.89 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.56
LogP ≤ 53.92
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze N-[4-[[[ethylamino-[[1-(2-hydroxyethyl)cyclohexyl]methylamino]methylidene]amino]methyl]phenyl]furan-2-carboxamide with MolForge

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Related Compounds

N-[4-[[[ethylamino-(furan-2-ylmethylamino)methylidene]amino]methyl]phenyl]furan-2-carboxamide
CID 110937518
N-[4-[[[(cyclopropylmethylamino)-(ethylamino)methylidene]amino]methyl]phenyl]furan-2-carboxamide;hydroiodide
CID 111869777
N-[4-[[[(cyclopropylamino)-(ethylamino)methylidene]amino]methyl]phenyl]furan-2-carboxamide
CID 110988092
4-[[[ethylamino-[[1-(2-hydroxyethyl)cyclohexyl]methylamino]methylidene]amino]methyl]-N-methylbenzamide;hydroiodide
CID 109477037
N-[4-[[[[(2,2-diethyl-4-hydroxybutyl)amino]-(ethylamino)methylidene]amino]methyl]phenyl]furan-2-carboxamide
CID 111716266
N-[4-[[[ethylamino-[(4-methylphenyl)methylamino]methylidene]amino]methyl]phenyl]furan-2-carboxamide;hydroiodide
CID 111244092
N-(2-amino-2-oxoethyl)-4-[[[ethylamino-[[1-(2-hydroxyethyl)cyclohexyl]methylamino]methylidene]amino]methyl]benzamide
CID 109476509
N-[4-[[[(butan-2-ylamino)-(ethylamino)methylidene]amino]methyl]phenyl]furan-2-carboxamide;hydroiodide
CID 110943709
N-[4-[[[ethylamino-[(4-hydroxycyclohexyl)amino]methylidene]amino]methyl]phenyl]furan-2-carboxamide
CID 111189794
N-(2-amino-2-oxoethyl)-4-[[[ethylamino-[[1-(2-hydroxyethyl)cyclohexyl]methylamino]methylidene]amino]methyl]benzamide;hydroiodide
CID 109476508
2-[[4-(2,5-dihydropyrrol-1-yl)phenyl]methyl]-1-ethyl-3-[[1-(2-hydroxyethyl)cyclohexyl]methyl]guanidine;hydroiodide
CID 109477457
2-[[4-[(dimethylamino)methyl]phenyl]methyl]-1-ethyl-3-[[1-(2-hydroxyethyl)cyclohexyl]methyl]guanidine;hydroiodide
CID 109477183

Frequently Asked Questions

What is the IUPAC name of N-[4-[[[ethylamino-[[1-(2-hydroxyethyl)cyclohexyl]methylamino]methylidene]amino]methyl]phenyl]furan-2-carboxamide?
The IUPAC name of N-[4-[[[ethylamino-[[1-(2-hydroxyethyl)cyclohexyl]methylamino]methylidene]amino]methyl]phenyl]furan-2-carboxamide (CID 109477112) is N-[4-[[[ethylamino-[[1-(2-hydroxyethyl)cyclohexyl]methylamino]methylidene]amino]methyl]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-[[[ethylamino-[[1-(2-hydroxyethyl)cyclohexyl]methylamino]methylidene]amino]methyl]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[4-[[[ethylamino-[[1-(2-hydroxyethyl)cyclohexyl]methylamino]methylidene]amino]methyl]phenyl]furan-2-carboxamide is CCN/C(=N\Cc1ccc(NC(=O)c2ccco2)cc1)NCC1(CCO)CCCCC1.
What is the InChIKey of N-[4-[[[ethylamino-[[1-(2-hydroxyethyl)cyclohexyl]methylamino]methylidene]amino]methyl]phenyl]furan-2-carboxamide?
The InChIKey is OBFBSQQNDZQYNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N4O3/c1-2-25-23(27-18-24(14-15-29)12-4-3-5-13-24)26-17-19-8-10-20(11-9-19)28-22(30)21-7-6-16-31-21/h6-11,16,29H,2-5,12-15,17-18H2,1H3,(H,28,30)(H2,25,26,27).
What are the key properties of N-[4-[[[ethylamino-[[1-(2-hydroxyethyl)cyclohexyl]methylamino]methylidene]amino]methyl]phenyl]furan-2-carboxamide?
N-[4-[[[ethylamino-[[1-(2-hydroxyethyl)cyclohexyl]methylamino]methylidene]amino]methyl]phenyl]furan-2-carboxamide has a molecular weight of 426.56 g/mol, XLogP of 3.92, 9 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[[ethylamino-[[1-(2-hydroxyethyl)cyclohexyl]methylamino]methylidene]amino]methyl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 109477112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).