N-[4-(2-methylpropanoyl)cyclohexyl]-3-[[4-(propan-2-yloxymethyl)cyclohexyl]methoxy]propanamide;molecular hydrogen

C24H45NO4 — CID 167463977

IUPACN-[4-(2-methylpropanoyl)cyclohexyl]-3-[[4-(propan-2-yloxymethyl)cyclohexyl]methoxy]propanamide;molecular hydrogen
SMILESCC(C)OCC1CCC(COCCC(=O)NC2CCC(C(=O)C(C)C)CC2)CC1.[H][H]
InChIInChI=1S/C24H43NO4.H2/c1-17(2)24(27)21-9-11-22(12-10-21)25-23(26)13-14-28-15-19-5-7-20(8-6-19)16-29-18(3)4;/h17-22H,5-16H2,1-4H3,(H,25,26);1H
InChIKeyKPOBHIUNLNFXKA-UHFFFAOYSA-N
MW411.63 g/mol
LogP4.77
Rot. Bonds11

About N-[4-(2-methylpropanoyl)cyclohexyl]-3-[[4-(propan-2-yloxymethyl)cyclohexyl]methoxy]propanamide;molecular hydrogen

N-[4-(2-methylpropanoyl)cyclohexyl]-3-[[4-(propan-2-yloxymethyl)cyclohexyl]methoxy]propanamide;molecular hydrogen (PubChem CID 167463977) has the molecular formula C24H45NO4 and a molecular weight of 411.63 g/mol. Its IUPAC name is N-[4-(2-methylpropanoyl)cyclohexyl]-3-[[4-(propan-2-yloxymethyl)cyclohexyl]methoxy]propanamide;molecular hydrogen.

Molecular Properties

Compound NameN-[4-(2-methylpropanoyl)cyclohexyl]-3-[[4-(propan-2-yloxymethyl)cyclohexyl]methoxy]propanamide;molecular hydrogen
PubChem CID167463977
Molecular FormulaC24H45NO4
Molecular Weight411.63 g/mol
Exact Mass411.33
IUPAC NameN-[4-(2-methylpropanoyl)cyclohexyl]-3-[[4-(propan-2-yloxymethyl)cyclohexyl]methoxy]propanamide;molecular hydrogen
SMILESCC(C)OCC1CCC(COCCC(=O)NC2CCC(C(=O)C(C)C)CC2)CC1.[H][H]
InChIInChI=1S/C24H43NO4.H2/c1-17(2)24(27)21-9-11-22(12-10-21)25-23(26)13-14-28-15-19-5-7-20(8-6-19)16-29-18(3)4;/h17-22H,5-16H2,1-4H3,(H,25,26);1H
InChIKeyKPOBHIUNLNFXKA-UHFFFAOYSA-N
XLogP4.77
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.63
LogP ≤ 54.77
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-[4-(2-methylpropanoyl)cyclohexyl]-3-[[4-(propan-2-yloxymethyl)cyclohexyl]methoxy]propanamide;molecular hydrogen?
The IUPAC name of N-[4-(2-methylpropanoyl)cyclohexyl]-3-[[4-(propan-2-yloxymethyl)cyclohexyl]methoxy]propanamide;molecular hydrogen (CID 167463977) is N-[4-(2-methylpropanoyl)cyclohexyl]-3-[[4-(propan-2-yloxymethyl)cyclohexyl]methoxy]propanamide;molecular hydrogen.
What is the SMILES notation for N-[4-(2-methylpropanoyl)cyclohexyl]-3-[[4-(propan-2-yloxymethyl)cyclohexyl]methoxy]propanamide;molecular hydrogen?
The canonical SMILES for N-[4-(2-methylpropanoyl)cyclohexyl]-3-[[4-(propan-2-yloxymethyl)cyclohexyl]methoxy]propanamide;molecular hydrogen is CC(C)OCC1CCC(COCCC(=O)NC2CCC(C(=O)C(C)C)CC2)CC1.[H][H].
What is the InChIKey of N-[4-(2-methylpropanoyl)cyclohexyl]-3-[[4-(propan-2-yloxymethyl)cyclohexyl]methoxy]propanamide;molecular hydrogen?
The InChIKey is KPOBHIUNLNFXKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H43NO4.H2/c1-17(2)24(27)21-9-11-22(12-10-21)25-23(26)13-14-28-15-19-5-7-20(8-6-19)16-29-18(3)4;/h17-22H,5-16H2,1-4H3,(H,25,26);1H.
What are the key properties of N-[4-(2-methylpropanoyl)cyclohexyl]-3-[[4-(propan-2-yloxymethyl)cyclohexyl]methoxy]propanamide;molecular hydrogen?
N-[4-(2-methylpropanoyl)cyclohexyl]-3-[[4-(propan-2-yloxymethyl)cyclohexyl]methoxy]propanamide;molecular hydrogen has a molecular weight of 411.63 g/mol, XLogP of 4.77, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-methylpropanoyl)cyclohexyl]-3-[[4-(propan-2-yloxymethyl)cyclohexyl]methoxy]propanamide;molecular hydrogen is sourced from PubChem (CID 167463977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).