N-(furan-2-ylmethyl)-1-[(4-methylphenyl)carbamoylamino]cyclohexane-1-carboxamide

C20H25N3O3 — CID 653418

IUPACN-(furan-2-ylmethyl)-1-[(4-methylphenyl)carbamoylamino]cyclohexane-1-carboxamide
SMILESCc1ccc(NC(=O)NC2(C(=O)NCc3ccco3)CCCCC2)cc1
InChIInChI=1S/C20H25N3O3/c1-15-7-9-16(10-8-15)22-19(25)23-20(11-3-2-4-12-20)18(24)21-14-17-6-5-13-26-17/h5-10,13H,2-4,11-12,14H2,1H3,(H,21,24)(H2,22,23,25)
InChIKeyMVUDMMQPGWAULF-UHFFFAOYSA-N
MW355.44 g/mol
LogP3.73
Rot. Bonds5

About N-(furan-2-ylmethyl)-1-[(4-methylphenyl)carbamoylamino]cyclohexane-1-carboxamide

N-(furan-2-ylmethyl)-1-[(4-methylphenyl)carbamoylamino]cyclohexane-1-carboxamide (PubChem CID 653418) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-1-[(4-methylphenyl)carbamoylamino]cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-1-[(4-methylphenyl)carbamoylamino]cyclohexane-1-carboxamide
PubChem CID653418
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC NameN-(furan-2-ylmethyl)-1-[(4-methylphenyl)carbamoylamino]cyclohexane-1-carboxamide
SMILESCc1ccc(NC(=O)NC2(C(=O)NCc3ccco3)CCCCC2)cc1
InChIInChI=1S/C20H25N3O3/c1-15-7-9-16(10-8-15)22-19(25)23-20(11-3-2-4-12-20)18(24)21-14-17-6-5-13-26-17/h5-10,13H,2-4,11-12,14H2,1H3,(H,21,24)(H2,22,23,25)
InChIKeyMVUDMMQPGWAULF-UHFFFAOYSA-N
XLogP3.73
TPSA83.37 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 53.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-(furan-2-ylmethyl)-1-[(4-methylphenyl)carbamoylamino]cyclohexane-1-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-1-[(4-methylphenyl)carbamoylamino]cyclohexane-1-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-1-[(4-methylphenyl)carbamoylamino]cyclohexane-1-carboxamide (CID 653418) is N-(furan-2-ylmethyl)-1-[(4-methylphenyl)carbamoylamino]cyclohexane-1-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-1-[(4-methylphenyl)carbamoylamino]cyclohexane-1-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-1-[(4-methylphenyl)carbamoylamino]cyclohexane-1-carboxamide is Cc1ccc(NC(=O)NC2(C(=O)NCc3ccco3)CCCCC2)cc1.
What is the InChIKey of N-(furan-2-ylmethyl)-1-[(4-methylphenyl)carbamoylamino]cyclohexane-1-carboxamide?
The InChIKey is MVUDMMQPGWAULF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-15-7-9-16(10-8-15)22-19(25)23-20(11-3-2-4-12-20)18(24)21-14-17-6-5-13-26-17/h5-10,13H,2-4,11-12,14H2,1H3,(H,21,24)(H2,22,23,25).
What are the key properties of N-(furan-2-ylmethyl)-1-[(4-methylphenyl)carbamoylamino]cyclohexane-1-carboxamide?
N-(furan-2-ylmethyl)-1-[(4-methylphenyl)carbamoylamino]cyclohexane-1-carboxamide has a molecular weight of 355.44 g/mol, XLogP of 3.73, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-1-[(4-methylphenyl)carbamoylamino]cyclohexane-1-carboxamide is sourced from PubChem (CID 653418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).