4-[4-(2-methylpropanoylamino)cyclohexyl]oxy-N-(4-propanoylcyclohexyl)butanamide

C23H40N2O4 — CID 170195768

IUPAC4-[4-(2-methylpropanoylamino)cyclohexyl]oxy-N-(4-propanoylcyclohexyl)butanamide
SMILESCCC(=O)C1CCC(NC(=O)CCCOC2CCC(NC(=O)C(C)C)CC2)CC1
InChIInChI=1S/C23H40N2O4/c1-4-21(26)17-7-9-18(10-8-17)24-22(27)6-5-15-29-20-13-11-19(12-14-20)25-23(28)16(2)3/h16-20H,4-15H2,1-3H3,(H,24,27)(H,25,28)
InChIKeyOWWABVOVMMIOQH-UHFFFAOYSA-N
MW408.58 g/mol
LogP3.52
Rot. Bonds10

About 4-[4-(2-methylpropanoylamino)cyclohexyl]oxy-N-(4-propanoylcyclohexyl)butanamide

4-[4-(2-methylpropanoylamino)cyclohexyl]oxy-N-(4-propanoylcyclohexyl)butanamide (PubChem CID 170195768) has the molecular formula C23H40N2O4 and a molecular weight of 408.58 g/mol. Its IUPAC name is 4-[4-(2-methylpropanoylamino)cyclohexyl]oxy-N-(4-propanoylcyclohexyl)butanamide.

Molecular Properties

Compound Name4-[4-(2-methylpropanoylamino)cyclohexyl]oxy-N-(4-propanoylcyclohexyl)butanamide
PubChem CID170195768
Molecular FormulaC23H40N2O4
Molecular Weight408.58 g/mol
Exact Mass408.30
IUPAC Name4-[4-(2-methylpropanoylamino)cyclohexyl]oxy-N-(4-propanoylcyclohexyl)butanamide
SMILESCCC(=O)C1CCC(NC(=O)CCCOC2CCC(NC(=O)C(C)C)CC2)CC1
InChIInChI=1S/C23H40N2O4/c1-4-21(26)17-7-9-18(10-8-17)24-22(27)6-5-15-29-20-13-11-19(12-14-20)25-23(28)16(2)3/h16-20H,4-15H2,1-3H3,(H,24,27)(H,25,28)
InChIKeyOWWABVOVMMIOQH-UHFFFAOYSA-N
XLogP3.52
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.58
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(4-ethoxycyclohexyl)oxy-N-(4-propanoylcyclohexyl)propanamide
CID 167464210
4-(4-acetamidocyclohexyl)oxy-N-[4-(2-methylpropanoyl)cyclohexyl]butanamide
CID 169158725
molecular hydrogen;N-(3-propanoylcyclobutyl)-4-(4-propan-2-yloxycyclohexyl)oxybutanamide
CID 169158273
N-(4-acetylcyclohexyl)-4-(4-propan-2-yloxycyclohexyl)oxybutanamide;ethane;molecular hydrogen
CID 178082611
N-(4-acetylcyclohexyl)-4-cyclohexyloxybutanamide
CID 177358183
N-(4-acetylcyclohexyl)-4-cyclohexyloxybutanamide;molecular hydrogen;propan-2-ol
CID 178082793
(3S)-1-methyl-5-oxo-N-[2-[4-[4-oxo-4-[(4-propanoylcyclohexyl)amino]butoxy]cyclohexyl]oxyethyl]pyrrolidine-3-carboxamide
CID 177358531
N-(4-acetylcyclohexyl)-4-cyclohexyloxybutanamide;ethane
CID 177358182
3-(4-methoxycyclohexyl)oxy-N-(3-propanoylcyclobutyl)propanamide
CID 169159546
N-[4-(2-methylpropanoyl)cyclohexyl]-3-(4-propan-2-yloxycyclohexyl)oxypropanamide
CID 169158788
ethyl 4-(2-methylpropanoylamino)cyclohexane-1-carboxylate
CID 62401052
N-[4-(2-methylpropanoyl)cyclohexyl]-4-[3-(2-methylpropoxy)propoxy]butanamide;molecular hydrogen
CID 167464298

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-methylpropanoylamino)cyclohexyl]oxy-N-(4-propanoylcyclohexyl)butanamide?
The IUPAC name of 4-[4-(2-methylpropanoylamino)cyclohexyl]oxy-N-(4-propanoylcyclohexyl)butanamide (CID 170195768) is 4-[4-(2-methylpropanoylamino)cyclohexyl]oxy-N-(4-propanoylcyclohexyl)butanamide.
What is the SMILES notation for 4-[4-(2-methylpropanoylamino)cyclohexyl]oxy-N-(4-propanoylcyclohexyl)butanamide?
The canonical SMILES for 4-[4-(2-methylpropanoylamino)cyclohexyl]oxy-N-(4-propanoylcyclohexyl)butanamide is CCC(=O)C1CCC(NC(=O)CCCOC2CCC(NC(=O)C(C)C)CC2)CC1.
What is the InChIKey of 4-[4-(2-methylpropanoylamino)cyclohexyl]oxy-N-(4-propanoylcyclohexyl)butanamide?
The InChIKey is OWWABVOVMMIOQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H40N2O4/c1-4-21(26)17-7-9-18(10-8-17)24-22(27)6-5-15-29-20-13-11-19(12-14-20)25-23(28)16(2)3/h16-20H,4-15H2,1-3H3,(H,24,27)(H,25,28).
What are the key properties of 4-[4-(2-methylpropanoylamino)cyclohexyl]oxy-N-(4-propanoylcyclohexyl)butanamide?
4-[4-(2-methylpropanoylamino)cyclohexyl]oxy-N-(4-propanoylcyclohexyl)butanamide has a molecular weight of 408.58 g/mol, XLogP of 3.52, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-methylpropanoylamino)cyclohexyl]oxy-N-(4-propanoylcyclohexyl)butanamide is sourced from PubChem (CID 170195768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).