ethanamine;ethane;formaldehyde;N-(4-methylphenyl)-7H-cyclohepta[b]furan-2-carboxamide

C22H30N2O3 — CID 142812087

IUPACethanamine;ethane;formaldehyde;N-(4-methylphenyl)-7H-cyclohepta[b]furan-2-carboxamide
SMILESC=O.CC.CCN.Cc1ccc(NC(=O)c2cc3c(o2)=CCC=CC=3)cc1
InChIInChI=1S/C17H15NO2.C2H7N.C2H6.CH2O/c1-12-7-9-14(10-8-12)18-17(19)16-11-13-5-3-2-4-6-15(13)20-16;1-2-3;2*1-2/h2-3,5-11H,4H2,1H3,(H,18,19);2-3H2,1H3;1-2H3;1H2
InChIKeyMSWLWSQVOKVICD-UHFFFAOYSA-N
MW370.49 g/mol
LogP3.17
Rot. Bonds2

About ethanamine;ethane;formaldehyde;N-(4-methylphenyl)-7H-cyclohepta[b]furan-2-carboxamide

ethanamine;ethane;formaldehyde;N-(4-methylphenyl)-7H-cyclohepta[b]furan-2-carboxamide (PubChem CID 142812087) has the molecular formula C22H30N2O3 and a molecular weight of 370.49 g/mol. Its IUPAC name is ethanamine;ethane;formaldehyde;N-(4-methylphenyl)-7H-cyclohepta[b]furan-2-carboxamide.

Molecular Properties

Compound Nameethanamine;ethane;formaldehyde;N-(4-methylphenyl)-7H-cyclohepta[b]furan-2-carboxamide
PubChem CID142812087
Molecular FormulaC22H30N2O3
Molecular Weight370.49 g/mol
Exact Mass370.23
IUPAC Nameethanamine;ethane;formaldehyde;N-(4-methylphenyl)-7H-cyclohepta[b]furan-2-carboxamide
SMILESC=O.CC.CCN.Cc1ccc(NC(=O)c2cc3c(o2)=CCC=CC=3)cc1
InChIInChI=1S/C17H15NO2.C2H7N.C2H6.CH2O/c1-12-7-9-14(10-8-12)18-17(19)16-11-13-5-3-2-4-6-15(13)20-16;1-2-3;2*1-2/h2-3,5-11H,4H2,1H3,(H,18,19);2-3H2,1H3;1-2H3;1H2
InChIKeyMSWLWSQVOKVICD-UHFFFAOYSA-N
XLogP3.17
TPSA85.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.49
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze ethanamine;ethane;formaldehyde;N-(4-methylphenyl)-7H-cyclohepta[b]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

Frequently Asked Questions

What is the IUPAC name of ethanamine;ethane;formaldehyde;N-(4-methylphenyl)-7H-cyclohepta[b]furan-2-carboxamide?
The IUPAC name of ethanamine;ethane;formaldehyde;N-(4-methylphenyl)-7H-cyclohepta[b]furan-2-carboxamide (CID 142812087) is ethanamine;ethane;formaldehyde;N-(4-methylphenyl)-7H-cyclohepta[b]furan-2-carboxamide.
What is the SMILES notation for ethanamine;ethane;formaldehyde;N-(4-methylphenyl)-7H-cyclohepta[b]furan-2-carboxamide?
The canonical SMILES for ethanamine;ethane;formaldehyde;N-(4-methylphenyl)-7H-cyclohepta[b]furan-2-carboxamide is C=O.CC.CCN.Cc1ccc(NC(=O)c2cc3c(o2)=CCC=CC=3)cc1.
What is the InChIKey of ethanamine;ethane;formaldehyde;N-(4-methylphenyl)-7H-cyclohepta[b]furan-2-carboxamide?
The InChIKey is MSWLWSQVOKVICD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO2.C2H7N.C2H6.CH2O/c1-12-7-9-14(10-8-12)18-17(19)16-11-13-5-3-2-4-6-15(13)20-16;1-2-3;2*1-2/h2-3,5-11H,4H2,1H3,(H,18,19);2-3H2,1H3;1-2H3;1H2.
What are the key properties of ethanamine;ethane;formaldehyde;N-(4-methylphenyl)-7H-cyclohepta[b]furan-2-carboxamide?
ethanamine;ethane;formaldehyde;N-(4-methylphenyl)-7H-cyclohepta[b]furan-2-carboxamide has a molecular weight of 370.49 g/mol, XLogP of 3.17, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethanamine;ethane;formaldehyde;N-(4-methylphenyl)-7H-cyclohepta[b]furan-2-carboxamide is sourced from PubChem (CID 142812087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).