N-[3-(2-methylpropanoyl)cyclobutyl]-4-(4-propan-2-yloxycyclohexyl)oxybutanamide;molecular hydrogen

C21H39NO4 — CID 167464263

IUPACN-[3-(2-methylpropanoyl)cyclobutyl]-4-(4-propan-2-yloxycyclohexyl)oxybutanamide;molecular hydrogen
SMILESCC(C)OC1CCC(OCCCC(=O)NC2CC(C(=O)C(C)C)C2)CC1.[H][H]
InChIInChI=1S/C21H37NO4.H2/c1-14(2)21(24)16-12-17(13-16)22-20(23)6-5-11-25-18-7-9-19(10-8-18)26-15(3)4;/h14-19H,5-13H2,1-4H3,(H,22,23);1H
InChIKeyFWVRLLZKCMWGAY-UHFFFAOYSA-N
MW369.55 g/mol
LogP3.89
Rot. Bonds10

About N-[3-(2-methylpropanoyl)cyclobutyl]-4-(4-propan-2-yloxycyclohexyl)oxybutanamide;molecular hydrogen

N-[3-(2-methylpropanoyl)cyclobutyl]-4-(4-propan-2-yloxycyclohexyl)oxybutanamide;molecular hydrogen (PubChem CID 167464263) has the molecular formula C21H39NO4 and a molecular weight of 369.55 g/mol. Its IUPAC name is N-[3-(2-methylpropanoyl)cyclobutyl]-4-(4-propan-2-yloxycyclohexyl)oxybutanamide;molecular hydrogen.

Molecular Properties

Compound NameN-[3-(2-methylpropanoyl)cyclobutyl]-4-(4-propan-2-yloxycyclohexyl)oxybutanamide;molecular hydrogen
PubChem CID167464263
Molecular FormulaC21H39NO4
Molecular Weight369.55 g/mol
Exact Mass369.29
IUPAC NameN-[3-(2-methylpropanoyl)cyclobutyl]-4-(4-propan-2-yloxycyclohexyl)oxybutanamide;molecular hydrogen
SMILESCC(C)OC1CCC(OCCCC(=O)NC2CC(C(=O)C(C)C)C2)CC1.[H][H]
InChIInChI=1S/C21H37NO4.H2/c1-14(2)21(24)16-12-17(13-16)22-20(23)6-5-11-25-18-7-9-19(10-8-18)26-15(3)4;/h14-19H,5-13H2,1-4H3,(H,22,23);1H
InChIKeyFWVRLLZKCMWGAY-UHFFFAOYSA-N
XLogP3.89
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.55
LogP ≤ 53.89
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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Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methylpropanoyl)cyclobutyl]-4-(4-propan-2-yloxycyclohexyl)oxybutanamide;molecular hydrogen?
The IUPAC name of N-[3-(2-methylpropanoyl)cyclobutyl]-4-(4-propan-2-yloxycyclohexyl)oxybutanamide;molecular hydrogen (CID 167464263) is N-[3-(2-methylpropanoyl)cyclobutyl]-4-(4-propan-2-yloxycyclohexyl)oxybutanamide;molecular hydrogen.
What is the SMILES notation for N-[3-(2-methylpropanoyl)cyclobutyl]-4-(4-propan-2-yloxycyclohexyl)oxybutanamide;molecular hydrogen?
The canonical SMILES for N-[3-(2-methylpropanoyl)cyclobutyl]-4-(4-propan-2-yloxycyclohexyl)oxybutanamide;molecular hydrogen is CC(C)OC1CCC(OCCCC(=O)NC2CC(C(=O)C(C)C)C2)CC1.[H][H].
What is the InChIKey of N-[3-(2-methylpropanoyl)cyclobutyl]-4-(4-propan-2-yloxycyclohexyl)oxybutanamide;molecular hydrogen?
The InChIKey is FWVRLLZKCMWGAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H37NO4.H2/c1-14(2)21(24)16-12-17(13-16)22-20(23)6-5-11-25-18-7-9-19(10-8-18)26-15(3)4;/h14-19H,5-13H2,1-4H3,(H,22,23);1H.
What are the key properties of N-[3-(2-methylpropanoyl)cyclobutyl]-4-(4-propan-2-yloxycyclohexyl)oxybutanamide;molecular hydrogen?
N-[3-(2-methylpropanoyl)cyclobutyl]-4-(4-propan-2-yloxycyclohexyl)oxybutanamide;molecular hydrogen has a molecular weight of 369.55 g/mol, XLogP of 3.89, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methylpropanoyl)cyclobutyl]-4-(4-propan-2-yloxycyclohexyl)oxybutanamide;molecular hydrogen is sourced from PubChem (CID 167464263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).