2,2-dimethyl-N-[4-[[4-[[2-[4-[(2-methylpropan-2-yl)oxymethyl]cyclohexyl]acetyl]amino]cyclohexyl]methyl]cyclohexyl]propanamide

C31H56N2O3 — CID 143871873

IUPAC2,2-dimethyl-N-[4-[[4-[[2-[4-[(2-methylpropan-2-yl)oxymethyl]cyclohexyl]acetyl]amino]cyclohexyl]methyl]cyclohexyl]propanamide
SMILESCC(C)(C)OCC1CCC(CC(=O)NC2CCC(CC3CCC(NC(=O)C(C)(C)C)CC3)CC2)CC1
InChIInChI=1S/C31H56N2O3/c1-30(2,3)29(35)33-27-17-13-23(14-18-27)19-22-11-15-26(16-12-22)32-28(34)20-24-7-9-25(10-8-24)21-36-31(4,5)6/h22-27H,7-21H2,1-6H3,(H,32,34)(H,33,35)
InChIKeyDNVGMGZKUXLXCW-UHFFFAOYSA-N
MW504.80 g/mol
LogP6.78
Rot. Bonds8

About 2,2-dimethyl-N-[4-[[4-[[2-[4-[(2-methylpropan-2-yl)oxymethyl]cyclohexyl]acetyl]amino]cyclohexyl]methyl]cyclohexyl]propanamide

2,2-dimethyl-N-[4-[[4-[[2-[4-[(2-methylpropan-2-yl)oxymethyl]cyclohexyl]acetyl]amino]cyclohexyl]methyl]cyclohexyl]propanamide (PubChem CID 143871873) has the molecular formula C31H56N2O3 and a molecular weight of 504.80 g/mol. Its IUPAC name is 2,2-dimethyl-N-[4-[[4-[[2-[4-[(2-methylpropan-2-yl)oxymethyl]cyclohexyl]acetyl]amino]cyclohexyl]methyl]cyclohexyl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[4-[[4-[[2-[4-[(2-methylpropan-2-yl)oxymethyl]cyclohexyl]acetyl]amino]cyclohexyl]methyl]cyclohexyl]propanamide
PubChem CID143871873
Molecular FormulaC31H56N2O3
Molecular Weight504.80 g/mol
Exact Mass504.43
IUPAC Name2,2-dimethyl-N-[4-[[4-[[2-[4-[(2-methylpropan-2-yl)oxymethyl]cyclohexyl]acetyl]amino]cyclohexyl]methyl]cyclohexyl]propanamide
SMILESCC(C)(C)OCC1CCC(CC(=O)NC2CCC(CC3CCC(NC(=O)C(C)(C)C)CC3)CC2)CC1
InChIInChI=1S/C31H56N2O3/c1-30(2,3)29(35)33-27-17-13-23(14-18-27)19-22-11-15-26(16-12-22)32-28(34)20-24-7-9-25(10-8-24)21-36-31(4,5)6/h22-27H,7-21H2,1-6H3,(H,32,34)(H,33,35)
InChIKeyDNVGMGZKUXLXCW-UHFFFAOYSA-N
XLogP6.78
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.80
LogP ≤ 56.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2,2-dimethyl-N-[4-[[4-[[2-[4-[(2-methylpropan-2-yl)oxymethyl]cyclohexyl]acetyl]amino]cyclohexyl]methyl]cyclohexyl]propanamide 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 2,2-dimethyl-N-[4-[[4-[[2-[4-[(2-methylpropan-2-yl)oxymethyl]cyclohexyl]acetyl]amino]cyclohexyl]methyl]cyclohexyl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[4-[[4-[[2-[4-[(2-methylpropan-2-yl)oxymethyl]cyclohexyl]acetyl]amino]cyclohexyl]methyl]cyclohexyl]propanamide (CID 143871873) is 2,2-dimethyl-N-[4-[[4-[[2-[4-[(2-methylpropan-2-yl)oxymethyl]cyclohexyl]acetyl]amino]cyclohexyl]methyl]cyclohexyl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[4-[[4-[[2-[4-[(2-methylpropan-2-yl)oxymethyl]cyclohexyl]acetyl]amino]cyclohexyl]methyl]cyclohexyl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[4-[[4-[[2-[4-[(2-methylpropan-2-yl)oxymethyl]cyclohexyl]acetyl]amino]cyclohexyl]methyl]cyclohexyl]propanamide is CC(C)(C)OCC1CCC(CC(=O)NC2CCC(CC3CCC(NC(=O)C(C)(C)C)CC3)CC2)CC1.
What is the InChIKey of 2,2-dimethyl-N-[4-[[4-[[2-[4-[(2-methylpropan-2-yl)oxymethyl]cyclohexyl]acetyl]amino]cyclohexyl]methyl]cyclohexyl]propanamide?
The InChIKey is DNVGMGZKUXLXCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H56N2O3/c1-30(2,3)29(35)33-27-17-13-23(14-18-27)19-22-11-15-26(16-12-22)32-28(34)20-24-7-9-25(10-8-24)21-36-31(4,5)6/h22-27H,7-21H2,1-6H3,(H,32,34)(H,33,35).
What are the key properties of 2,2-dimethyl-N-[4-[[4-[[2-[4-[(2-methylpropan-2-yl)oxymethyl]cyclohexyl]acetyl]amino]cyclohexyl]methyl]cyclohexyl]propanamide?
2,2-dimethyl-N-[4-[[4-[[2-[4-[(2-methylpropan-2-yl)oxymethyl]cyclohexyl]acetyl]amino]cyclohexyl]methyl]cyclohexyl]propanamide has a molecular weight of 504.80 g/mol, XLogP of 6.78, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[4-[[4-[[2-[4-[(2-methylpropan-2-yl)oxymethyl]cyclohexyl]acetyl]amino]cyclohexyl]methyl]cyclohexyl]propanamide is sourced from PubChem (CID 143871873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).