molecular hydrogen;N-(3-propanoylcyclobutyl)-4-(4-propan-2-yloxycyclohexyl)oxybutanamide

C20H37NO4 — CID 169158273

IUPACmolecular hydrogen;N-(3-propanoylcyclobutyl)-4-(4-propan-2-yloxycyclohexyl)oxybutanamide
SMILESCCC(=O)C1CC(NC(=O)CCCOC2CCC(OC(C)C)CC2)C1.[H][H]
InChIInChI=1S/C20H35NO4.H2/c1-4-19(22)15-12-16(13-15)21-20(23)6-5-11-24-17-7-9-18(10-8-17)25-14(2)3;/h14-18H,4-13H2,1-3H3,(H,21,23);1H
InChIKeyIQTSMMQBBRZYKP-UHFFFAOYSA-N
MW355.52 g/mol
LogP3.64
Rot. Bonds10

About molecular hydrogen;N-(3-propanoylcyclobutyl)-4-(4-propan-2-yloxycyclohexyl)oxybutanamide

molecular hydrogen;N-(3-propanoylcyclobutyl)-4-(4-propan-2-yloxycyclohexyl)oxybutanamide (PubChem CID 169158273) has the molecular formula C20H37NO4 and a molecular weight of 355.52 g/mol. Its IUPAC name is molecular hydrogen;N-(3-propanoylcyclobutyl)-4-(4-propan-2-yloxycyclohexyl)oxybutanamide.

Molecular Properties

Compound Namemolecular hydrogen;N-(3-propanoylcyclobutyl)-4-(4-propan-2-yloxycyclohexyl)oxybutanamide
PubChem CID169158273
Molecular FormulaC20H37NO4
Molecular Weight355.52 g/mol
Exact Mass355.27
IUPAC Namemolecular hydrogen;N-(3-propanoylcyclobutyl)-4-(4-propan-2-yloxycyclohexyl)oxybutanamide
SMILESCCC(=O)C1CC(NC(=O)CCCOC2CCC(OC(C)C)CC2)C1.[H][H]
InChIInChI=1S/C20H35NO4.H2/c1-4-19(22)15-12-16(13-15)21-20(23)6-5-11-24-17-7-9-18(10-8-17)25-14(2)3;/h14-18H,4-13H2,1-3H3,(H,21,23);1H
InChIKeyIQTSMMQBBRZYKP-UHFFFAOYSA-N
XLogP3.64
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.52
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-acetylcyclohexyl)-4-(4-propan-2-yloxycyclohexyl)oxybutanamide;ethane;molecular hydrogen
CID 178082611
4-[4-(2-methylpropanoylamino)cyclohexyl]oxy-N-(4-propanoylcyclohexyl)butanamide
CID 170195768
3-(4-methoxycyclohexyl)oxy-N-(3-propanoylcyclobutyl)propanamide
CID 169159546
N-[4-(2-methylpropanoyl)cyclohexyl]-3-(4-propan-2-yloxycyclohexyl)oxypropanamide
CID 169158788
N-(4-acetylcyclohexyl)-4-cyclohexyloxybutanamide;molecular hydrogen;propan-2-ol
CID 178082793
4-(4-acetamidocyclohexyl)oxy-N-[4-(2-methylpropanoyl)cyclohexyl]butanamide
CID 169158725
3-(4-ethoxycyclohexyl)oxy-N-(4-propanoylcyclohexyl)propanamide
CID 167464210
9-methyl-N-(4-propan-2-yloxycyclohexyl)decanamide
CID 166461461
N-(4-acetylcyclohexyl)-4-cyclohexyloxybutanamide
CID 177358183
N-(4-acetylcyclohexyl)-4-cyclohexyloxybutanamide;ethane
CID 177358182
3-[[4-(methoxymethyl)cyclohexyl]methoxy]-N-(3-propanoylcyclobutyl)propanamide;molecular hydrogen
CID 169158765
N-(3-ethoxycyclobutyl)butanamide
CID 102610625

Frequently Asked Questions

What is the IUPAC name of molecular hydrogen;N-(3-propanoylcyclobutyl)-4-(4-propan-2-yloxycyclohexyl)oxybutanamide?
The IUPAC name of molecular hydrogen;N-(3-propanoylcyclobutyl)-4-(4-propan-2-yloxycyclohexyl)oxybutanamide (CID 169158273) is molecular hydrogen;N-(3-propanoylcyclobutyl)-4-(4-propan-2-yloxycyclohexyl)oxybutanamide.
What is the SMILES notation for molecular hydrogen;N-(3-propanoylcyclobutyl)-4-(4-propan-2-yloxycyclohexyl)oxybutanamide?
The canonical SMILES for molecular hydrogen;N-(3-propanoylcyclobutyl)-4-(4-propan-2-yloxycyclohexyl)oxybutanamide is CCC(=O)C1CC(NC(=O)CCCOC2CCC(OC(C)C)CC2)C1.[H][H].
What is the InChIKey of molecular hydrogen;N-(3-propanoylcyclobutyl)-4-(4-propan-2-yloxycyclohexyl)oxybutanamide?
The InChIKey is IQTSMMQBBRZYKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35NO4.H2/c1-4-19(22)15-12-16(13-15)21-20(23)6-5-11-24-17-7-9-18(10-8-17)25-14(2)3;/h14-18H,4-13H2,1-3H3,(H,21,23);1H.
What are the key properties of molecular hydrogen;N-(3-propanoylcyclobutyl)-4-(4-propan-2-yloxycyclohexyl)oxybutanamide?
molecular hydrogen;N-(3-propanoylcyclobutyl)-4-(4-propan-2-yloxycyclohexyl)oxybutanamide has a molecular weight of 355.52 g/mol, XLogP of 3.64, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for molecular hydrogen;N-(3-propanoylcyclobutyl)-4-(4-propan-2-yloxycyclohexyl)oxybutanamide is sourced from PubChem (CID 169158273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).