3-[[4-(butan-2-yloxymethyl)cyclohexyl]methoxy]-N-[3-(2-methylpropanoyl)cyclobutyl]propanamide

C23H41NO4 — CID 169158368

IUPAC3-[[4-(butan-2-yloxymethyl)cyclohexyl]methoxy]-N-[3-(2-methylpropanoyl)cyclobutyl]propanamide
SMILESCCC(C)OCC1CCC(COCCC(=O)NC2CC(C(=O)C(C)C)C2)CC1
InChIInChI=1S/C23H41NO4/c1-5-17(4)28-15-19-8-6-18(7-9-19)14-27-11-10-22(25)24-21-12-20(13-21)23(26)16(2)3/h16-21H,5-15H2,1-4H3,(H,24,25)
InChIKeyMYOUTHVZOUCOKG-UHFFFAOYSA-N
MW395.58 g/mol
LogP4.13
Rot. Bonds12

About 3-[[4-(butan-2-yloxymethyl)cyclohexyl]methoxy]-N-[3-(2-methylpropanoyl)cyclobutyl]propanamide

3-[[4-(butan-2-yloxymethyl)cyclohexyl]methoxy]-N-[3-(2-methylpropanoyl)cyclobutyl]propanamide (PubChem CID 169158368) has the molecular formula C23H41NO4 and a molecular weight of 395.58 g/mol. Its IUPAC name is 3-[[4-(butan-2-yloxymethyl)cyclohexyl]methoxy]-N-[3-(2-methylpropanoyl)cyclobutyl]propanamide.

Molecular Properties

Compound Name3-[[4-(butan-2-yloxymethyl)cyclohexyl]methoxy]-N-[3-(2-methylpropanoyl)cyclobutyl]propanamide
PubChem CID169158368
Molecular FormulaC23H41NO4
Molecular Weight395.58 g/mol
Exact Mass395.30
IUPAC Name3-[[4-(butan-2-yloxymethyl)cyclohexyl]methoxy]-N-[3-(2-methylpropanoyl)cyclobutyl]propanamide
SMILESCCC(C)OCC1CCC(COCCC(=O)NC2CC(C(=O)C(C)C)C2)CC1
InChIInChI=1S/C23H41NO4/c1-5-17(4)28-15-19-8-6-18(7-9-19)14-27-11-10-22(25)24-21-12-20(13-21)23(26)16(2)3/h16-21H,5-15H2,1-4H3,(H,24,25)
InChIKeyMYOUTHVZOUCOKG-UHFFFAOYSA-N
XLogP4.13
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.58
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[[4-(butan-2-yloxymethyl)cyclohexyl]methoxy]-N-[3-(2-methylpropanoyl)cyclobutyl]propanamide 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

ethane;N-[4-(2-methylpropanoyl)cyclohexyl]-4-[[4-(propan-2-yloxymethyl)cyclohexyl]methoxy]butanamide;molecular hydrogen
CID 169158753
3-[[4-(ethoxymethyl)cyclohexyl]methoxy]-N-(3-prop-2-enoylcyclobutyl)propanamide
CID 167464128
3-[[4-(methoxymethyl)cyclohexyl]methoxy]-N-(3-propanoylcyclobutyl)propanamide;molecular hydrogen
CID 169158765
N-[3-(2-methylpropanoyl)cyclobutyl]-3-[2-(3-propan-2-yloxypropanoylamino)ethoxy]propanamide;molecular hydrogen
CID 167464240
(2S)-2-[3-(cyclopropylmethoxy)propanoylamino]propanoic acid
CID 119943235
N-(4-acetylcyclohexyl)-3-[[4-(methylsulfanyloxymethyl)cyclohexyl]methoxy]propanamide
CID 170128889
N-[2-[3-[[4-(2-methylpropanoyl)cyclohexyl]amino]-3-oxopropoxy]ethyl]butanamide
CID 169159425
2-methyl-N-[2-[2-[3-[[4-(2-methylpropanoyl)cyclohexyl]amino]-3-oxopropoxy]ethoxy]ethyl]propanamide
CID 169158396
3-ethoxy-N-[2-[3-[[4-(2-methylpropanoyl)cyclohexyl]amino]-3-oxopropoxy]ethyl]propanamide;molecular hydrogen
CID 169159088
1-cyclohexyl-2-methylpropan-1-one;4-[[4-(propan-2-yloxymethyl)cyclohexyl]methoxy]butanamide
CID 169158808
ethane;2-methyl-N-[2-[2-[3-[[4-(2-methylpropanoyl)cyclohexyl]amino]-3-oxopropoxy]ethoxy]ethyl]propanamide
CID 177357226
3-(cyclopropylmethoxy)propanehydrazide
CID 63574361

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(butan-2-yloxymethyl)cyclohexyl]methoxy]-N-[3-(2-methylpropanoyl)cyclobutyl]propanamide?
The IUPAC name of 3-[[4-(butan-2-yloxymethyl)cyclohexyl]methoxy]-N-[3-(2-methylpropanoyl)cyclobutyl]propanamide (CID 169158368) is 3-[[4-(butan-2-yloxymethyl)cyclohexyl]methoxy]-N-[3-(2-methylpropanoyl)cyclobutyl]propanamide.
What is the SMILES notation for 3-[[4-(butan-2-yloxymethyl)cyclohexyl]methoxy]-N-[3-(2-methylpropanoyl)cyclobutyl]propanamide?
The canonical SMILES for 3-[[4-(butan-2-yloxymethyl)cyclohexyl]methoxy]-N-[3-(2-methylpropanoyl)cyclobutyl]propanamide is CCC(C)OCC1CCC(COCCC(=O)NC2CC(C(=O)C(C)C)C2)CC1.
What is the InChIKey of 3-[[4-(butan-2-yloxymethyl)cyclohexyl]methoxy]-N-[3-(2-methylpropanoyl)cyclobutyl]propanamide?
The InChIKey is MYOUTHVZOUCOKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H41NO4/c1-5-17(4)28-15-19-8-6-18(7-9-19)14-27-11-10-22(25)24-21-12-20(13-21)23(26)16(2)3/h16-21H,5-15H2,1-4H3,(H,24,25).
What are the key properties of 3-[[4-(butan-2-yloxymethyl)cyclohexyl]methoxy]-N-[3-(2-methylpropanoyl)cyclobutyl]propanamide?
3-[[4-(butan-2-yloxymethyl)cyclohexyl]methoxy]-N-[3-(2-methylpropanoyl)cyclobutyl]propanamide has a molecular weight of 395.58 g/mol, XLogP of 4.13, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(butan-2-yloxymethyl)cyclohexyl]methoxy]-N-[3-(2-methylpropanoyl)cyclobutyl]propanamide is sourced from PubChem (CID 169158368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).