N-[3-[2-(2-methylcyclohexyl)oxyethylcarbamoylamino]phenyl]furan-2-carboxamide

C21H27N3O4 — CID 47034767

IUPACN-[3-[2-(2-methylcyclohexyl)oxyethylcarbamoylamino]phenyl]furan-2-carboxamide
SMILESCC1CCCCC1OCCNC(=O)Nc1cccc(NC(=O)c2ccco2)c1
InChIInChI=1S/C21H27N3O4/c1-15-6-2-3-9-18(15)28-13-11-22-21(26)24-17-8-4-7-16(14-17)23-20(25)19-10-5-12-27-19/h4-5,7-8,10,12,14-15,18H,2-3,6,9,11,13H2,1H3,(H,23,25)(H2,22,24,26)
InChIKeyGOUUIZXJRDKHKS-UHFFFAOYSA-N
MW385.46 g/mol
LogP4.25
Rot. Bonds7

About N-[3-[2-(2-methylcyclohexyl)oxyethylcarbamoylamino]phenyl]furan-2-carboxamide

N-[3-[2-(2-methylcyclohexyl)oxyethylcarbamoylamino]phenyl]furan-2-carboxamide (PubChem CID 47034767) has the molecular formula C21H27N3O4 and a molecular weight of 385.46 g/mol. Its IUPAC name is N-[3-[2-(2-methylcyclohexyl)oxyethylcarbamoylamino]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-[2-(2-methylcyclohexyl)oxyethylcarbamoylamino]phenyl]furan-2-carboxamide
PubChem CID47034767
Molecular FormulaC21H27N3O4
Molecular Weight385.46 g/mol
Exact Mass385.20
IUPAC NameN-[3-[2-(2-methylcyclohexyl)oxyethylcarbamoylamino]phenyl]furan-2-carboxamide
SMILESCC1CCCCC1OCCNC(=O)Nc1cccc(NC(=O)c2ccco2)c1
InChIInChI=1S/C21H27N3O4/c1-15-6-2-3-9-18(15)28-13-11-22-21(26)24-17-8-4-7-16(14-17)23-20(25)19-10-5-12-27-19/h4-5,7-8,10,12,14-15,18H,2-3,6,9,11,13H2,1H3,(H,23,25)(H2,22,24,26)
InChIKeyGOUUIZXJRDKHKS-UHFFFAOYSA-N
XLogP4.25
TPSA92.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.46
LogP ≤ 54.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[3-[2-(2-methylcyclohexyl)oxyethylcarbamoylamino]phenyl]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-methyl-3-[2-[(1S,2S)-2-methylcyclohexyl]oxyethylcarbamoylamino]-N-phenylbenzamide
CID 52519000
1-[2-[(1S,2S)-2-methylcyclohexyl]oxyethyl]-3-[3-(5-methyltetrazol-1-yl)phenyl]urea
CID 51946446
1-[2-(2-methylcyclohexyl)oxyethyl]-3-(4-methyl-3-nitrophenyl)urea
CID 47034684
(2R)-N-[4-[2-[(1S,2R)-2-methylcyclohexyl]oxyethylcarbamoylamino]phenyl]oxolane-2-carboxamide
CID 124727206
1-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-3-[2-[(1R,2S)-2-methylcyclohexyl]oxyethyl]urea
CID 98723402
5-chloro-N-[2-(2-methylcyclohexyl)oxyethyl]furan-2-carboxamide
CID 51115806
N-[3-[[[(3-cyclohexyloxypropylamino)-(ethylamino)methylidene]amino]methyl]phenyl]furan-2-carboxamide
CID 111397133
2-methoxy-N-[3-[[2-[(1S,2S)-2-methylcyclohexyl]oxyacetyl]amino]phenyl]acetamide
CID 96532684
2-methoxy-N-[3-[[2-[(1R,2R)-2-methylcyclohexyl]oxyacetyl]amino]phenyl]acetamide
CID 96532685
N-[3-[[(3-ethoxyphenyl)carbamoylamino]methyl]phenyl]furan-2-carboxamide
CID 87010587
N-[3-[2-(2-methoxyethylamino)-2-oxoethoxy]phenyl]furan-2-carboxamide
CID 46547454
N-[3-[[2-(3-methoxypropylamino)-2-oxoethyl]amino]phenyl]furan-2-carboxamide
CID 54843294

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(2-methylcyclohexyl)oxyethylcarbamoylamino]phenyl]furan-2-carboxamide?
The IUPAC name of N-[3-[2-(2-methylcyclohexyl)oxyethylcarbamoylamino]phenyl]furan-2-carboxamide (CID 47034767) is N-[3-[2-(2-methylcyclohexyl)oxyethylcarbamoylamino]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[3-[2-(2-methylcyclohexyl)oxyethylcarbamoylamino]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[3-[2-(2-methylcyclohexyl)oxyethylcarbamoylamino]phenyl]furan-2-carboxamide is CC1CCCCC1OCCNC(=O)Nc1cccc(NC(=O)c2ccco2)c1.
What is the InChIKey of N-[3-[2-(2-methylcyclohexyl)oxyethylcarbamoylamino]phenyl]furan-2-carboxamide?
The InChIKey is GOUUIZXJRDKHKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O4/c1-15-6-2-3-9-18(15)28-13-11-22-21(26)24-17-8-4-7-16(14-17)23-20(25)19-10-5-12-27-19/h4-5,7-8,10,12,14-15,18H,2-3,6,9,11,13H2,1H3,(H,23,25)(H2,22,24,26).
What are the key properties of N-[3-[2-(2-methylcyclohexyl)oxyethylcarbamoylamino]phenyl]furan-2-carboxamide?
N-[3-[2-(2-methylcyclohexyl)oxyethylcarbamoylamino]phenyl]furan-2-carboxamide has a molecular weight of 385.46 g/mol, XLogP of 4.25, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(2-methylcyclohexyl)oxyethylcarbamoylamino]phenyl]furan-2-carboxamide is sourced from PubChem (CID 47034767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).