N-[2-[[2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetyl]amino]ethyl]cyclohexanecarboxamide

C23H30N2O4 — CID 55806512

IUPACN-[2-[[2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetyl]amino]ethyl]cyclohexanecarboxamide
SMILESO=C(COc1ccc2oc3c(c2c1)CCCC3)NCCNC(=O)C1CCCCC1
InChIInChI=1S/C23H30N2O4/c26-22(24-12-13-25-23(27)16-6-2-1-3-7-16)15-28-17-10-11-21-19(14-17)18-8-4-5-9-20(18)29-21/h10-11,14,16H,1-9,12-13,15H2,(H,24,26)(H,25,27)
InChIKeyWQPXGOWREZKWQB-UHFFFAOYSA-N
MW398.50 g/mol
LogP3.50
Rot. Bonds7

About N-[2-[[2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetyl]amino]ethyl]cyclohexanecarboxamide

N-[2-[[2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetyl]amino]ethyl]cyclohexanecarboxamide (PubChem CID 55806512) has the molecular formula C23H30N2O4 and a molecular weight of 398.50 g/mol. Its IUPAC name is N-[2-[[2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetyl]amino]ethyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[2-[[2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetyl]amino]ethyl]cyclohexanecarboxamide
PubChem CID55806512
Molecular FormulaC23H30N2O4
Molecular Weight398.50 g/mol
Exact Mass398.22
IUPAC NameN-[2-[[2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetyl]amino]ethyl]cyclohexanecarboxamide
SMILESO=C(COc1ccc2oc3c(c2c1)CCCC3)NCCNC(=O)C1CCCCC1
InChIInChI=1S/C23H30N2O4/c26-22(24-12-13-25-23(27)16-6-2-1-3-7-16)15-28-17-10-11-21-19(14-17)18-8-4-5-9-20(18)29-21/h10-11,14,16H,1-9,12-13,15H2,(H,24,26)(H,25,27)
InChIKeyWQPXGOWREZKWQB-UHFFFAOYSA-N
XLogP3.50
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.50
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[2-[[2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetyl]amino]ethyl]cyclohexanecarboxamide 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

2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)acetamide
CID 51185256
N-(3-pyrrolidin-1-ium-1-ylpropyl)-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetamide
CID 9050377
N-[[(3S)-piperidin-3-yl]methyl]-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetamide
CID 99626862
N-[3-(4-methylpiperazine-1,4-diium-1-yl)propyl]-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetamide
CID 9049074
N-(pyridin-2-ylmethyl)-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetamide
CID 8880601
N-[2-(methylamino)propyl]-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetamide;hydrochloride
CID 120827134
N-ethoxy-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetamide
CID 46536426
2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
CID 41261420
N-[(4-nitrophenyl)methyl]-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetamide
CID 52702278
N-(4-methoxyphenyl)-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetamide
CID 3772122
N-[(3S)-2-oxopiperidin-3-yl]-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetamide
CID 95048353
N-[1-(oxolan-2-yl)ethyl]-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetamide
CID 43067366

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetyl]amino]ethyl]cyclohexanecarboxamide?
The IUPAC name of N-[2-[[2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetyl]amino]ethyl]cyclohexanecarboxamide (CID 55806512) is N-[2-[[2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetyl]amino]ethyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[2-[[2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetyl]amino]ethyl]cyclohexanecarboxamide?
The canonical SMILES for N-[2-[[2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetyl]amino]ethyl]cyclohexanecarboxamide is O=C(COc1ccc2oc3c(c2c1)CCCC3)NCCNC(=O)C1CCCCC1.
What is the InChIKey of N-[2-[[2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetyl]amino]ethyl]cyclohexanecarboxamide?
The InChIKey is WQPXGOWREZKWQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O4/c26-22(24-12-13-25-23(27)16-6-2-1-3-7-16)15-28-17-10-11-21-19(14-17)18-8-4-5-9-20(18)29-21/h10-11,14,16H,1-9,12-13,15H2,(H,24,26)(H,25,27).
What are the key properties of N-[2-[[2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetyl]amino]ethyl]cyclohexanecarboxamide?
N-[2-[[2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetyl]amino]ethyl]cyclohexanecarboxamide has a molecular weight of 398.50 g/mol, XLogP of 3.50, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetyl]amino]ethyl]cyclohexanecarboxamide is sourced from PubChem (CID 55806512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).