N-[4-[(4-acetamidocyclohexyl)methyl]cyclohexyl]-4-ethoxybutanamide

C21H38N2O3 — CID 23405567

IUPACN-[4-[(4-acetamidocyclohexyl)methyl]cyclohexyl]-4-ethoxybutanamide
SMILESCCOCCCC(=O)NC1CCC(CC2CCC(NC(C)=O)CC2)CC1
InChIInChI=1S/C21H38N2O3/c1-3-26-14-4-5-21(25)23-20-12-8-18(9-13-20)15-17-6-10-19(11-7-17)22-16(2)24/h17-20H,3-15H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyQOAAQSWJJVULPV-UHFFFAOYSA-N
MW366.55 g/mol
LogP3.56
Rot. Bonds9

About N-[4-[(4-acetamidocyclohexyl)methyl]cyclohexyl]-4-ethoxybutanamide

N-[4-[(4-acetamidocyclohexyl)methyl]cyclohexyl]-4-ethoxybutanamide (PubChem CID 23405567) has the molecular formula C21H38N2O3 and a molecular weight of 366.55 g/mol. Its IUPAC name is N-[4-[(4-acetamidocyclohexyl)methyl]cyclohexyl]-4-ethoxybutanamide.

Molecular Properties

Compound NameN-[4-[(4-acetamidocyclohexyl)methyl]cyclohexyl]-4-ethoxybutanamide
PubChem CID23405567
Molecular FormulaC21H38N2O3
Molecular Weight366.55 g/mol
Exact Mass366.29
IUPAC NameN-[4-[(4-acetamidocyclohexyl)methyl]cyclohexyl]-4-ethoxybutanamide
SMILESCCOCCCC(=O)NC1CCC(CC2CCC(NC(C)=O)CC2)CC1
InChIInChI=1S/C21H38N2O3/c1-3-26-14-4-5-21(25)23-20-12-8-18(9-13-20)15-17-6-10-19(11-7-17)22-16(2)24/h17-20H,3-15H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyQOAAQSWJJVULPV-UHFFFAOYSA-N
XLogP3.56
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.55
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-[(4-acetamidocyclohexyl)methyl]cyclohexyl]-4-ethoxybutanamide?
The IUPAC name of N-[4-[(4-acetamidocyclohexyl)methyl]cyclohexyl]-4-ethoxybutanamide (CID 23405567) is N-[4-[(4-acetamidocyclohexyl)methyl]cyclohexyl]-4-ethoxybutanamide.
What is the SMILES notation for N-[4-[(4-acetamidocyclohexyl)methyl]cyclohexyl]-4-ethoxybutanamide?
The canonical SMILES for N-[4-[(4-acetamidocyclohexyl)methyl]cyclohexyl]-4-ethoxybutanamide is CCOCCCC(=O)NC1CCC(CC2CCC(NC(C)=O)CC2)CC1.
What is the InChIKey of N-[4-[(4-acetamidocyclohexyl)methyl]cyclohexyl]-4-ethoxybutanamide?
The InChIKey is QOAAQSWJJVULPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H38N2O3/c1-3-26-14-4-5-21(25)23-20-12-8-18(9-13-20)15-17-6-10-19(11-7-17)22-16(2)24/h17-20H,3-15H2,1-2H3,(H,22,24)(H,23,25).
What are the key properties of N-[4-[(4-acetamidocyclohexyl)methyl]cyclohexyl]-4-ethoxybutanamide?
N-[4-[(4-acetamidocyclohexyl)methyl]cyclohexyl]-4-ethoxybutanamide has a molecular weight of 366.55 g/mol, XLogP of 3.56, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-acetamidocyclohexyl)methyl]cyclohexyl]-4-ethoxybutanamide is sourced from PubChem (CID 23405567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).