N-[4-(2-methylpropanoyl)cyclohexyl]-3-(4-propan-2-yloxycyclohexyl)oxypropanamide

C22H39NO4 — CID 169158788

IUPACN-[4-(2-methylpropanoyl)cyclohexyl]-3-(4-propan-2-yloxycyclohexyl)oxypropanamide
SMILESCC(C)OC1CCC(OCCC(=O)NC2CCC(C(=O)C(C)C)CC2)CC1
InChIInChI=1S/C22H39NO4/c1-15(2)22(25)17-5-7-18(8-6-17)23-21(24)13-14-26-19-9-11-20(12-10-19)27-16(3)4/h15-20H,5-14H2,1-4H3,(H,23,24)
InChIKeyHSJGZSDQYHMXLS-UHFFFAOYSA-N
MW381.56 g/mol
LogP4.03
Rot. Bonds9

About N-[4-(2-methylpropanoyl)cyclohexyl]-3-(4-propan-2-yloxycyclohexyl)oxypropanamide

N-[4-(2-methylpropanoyl)cyclohexyl]-3-(4-propan-2-yloxycyclohexyl)oxypropanamide (PubChem CID 169158788) has the molecular formula C22H39NO4 and a molecular weight of 381.56 g/mol. Its IUPAC name is N-[4-(2-methylpropanoyl)cyclohexyl]-3-(4-propan-2-yloxycyclohexyl)oxypropanamide.

Molecular Properties

Compound NameN-[4-(2-methylpropanoyl)cyclohexyl]-3-(4-propan-2-yloxycyclohexyl)oxypropanamide
PubChem CID169158788
Molecular FormulaC22H39NO4
Molecular Weight381.56 g/mol
Exact Mass381.29
IUPAC NameN-[4-(2-methylpropanoyl)cyclohexyl]-3-(4-propan-2-yloxycyclohexyl)oxypropanamide
SMILESCC(C)OC1CCC(OCCC(=O)NC2CCC(C(=O)C(C)C)CC2)CC1
InChIInChI=1S/C22H39NO4/c1-15(2)22(25)17-5-7-18(8-6-17)23-21(24)13-14-26-19-9-11-20(12-10-19)27-16(3)4/h15-20H,5-14H2,1-4H3,(H,23,24)
InChIKeyHSJGZSDQYHMXLS-UHFFFAOYSA-N
XLogP4.03
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.56
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-acetamidocyclohexyl)oxy-N-[4-(2-methylpropanoyl)cyclohexyl]butanamide
CID 169158725
N-(4-acetylcyclohexyl)-4-(4-propan-2-yloxycyclohexyl)oxybutanamide;ethane;molecular hydrogen
CID 178082611
3-(4-ethoxycyclohexyl)oxy-N-(4-propanoylcyclohexyl)propanamide
CID 167464210
9-methyl-N-(4-propan-2-yloxycyclohexyl)decanamide
CID 166461461
molecular hydrogen;N-(3-propanoylcyclobutyl)-4-(4-propan-2-yloxycyclohexyl)oxybutanamide
CID 169158273
N-[2-[3-[[4-(2-methylpropanoyl)cyclohexyl]amino]-3-oxopropoxy]ethyl]butanamide
CID 169159425
2-methyl-N-[2-[2-[3-[[4-(2-methylpropanoyl)cyclohexyl]amino]-3-oxopropoxy]ethoxy]ethyl]propanamide
CID 169158396
4-[4-(2-methylpropanoylamino)cyclohexyl]oxy-N-(4-propanoylcyclohexyl)butanamide
CID 170195768
ethane;2-methyl-N-[2-[2-[3-[[4-(2-methylpropanoyl)cyclohexyl]amino]-3-oxopropoxy]ethoxy]ethyl]propanamide
CID 177357226
N-[4-(2-methylpropanoyl)cyclohexyl]-4-[3-(2-methylpropoxy)propoxy]butanamide;molecular hydrogen
CID 167464298
3-ethoxy-N-[2-[3-[[4-(2-methylpropanoyl)cyclohexyl]amino]-3-oxopropoxy]ethyl]propanamide;molecular hydrogen
CID 169159088
3-[2-[(2-methoxyacetyl)amino]ethoxy]-N-[4-(2-methylpropanoyl)cyclohexyl]propanamide
CID 178082713

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methylpropanoyl)cyclohexyl]-3-(4-propan-2-yloxycyclohexyl)oxypropanamide?
The IUPAC name of N-[4-(2-methylpropanoyl)cyclohexyl]-3-(4-propan-2-yloxycyclohexyl)oxypropanamide (CID 169158788) is N-[4-(2-methylpropanoyl)cyclohexyl]-3-(4-propan-2-yloxycyclohexyl)oxypropanamide.
What is the SMILES notation for N-[4-(2-methylpropanoyl)cyclohexyl]-3-(4-propan-2-yloxycyclohexyl)oxypropanamide?
The canonical SMILES for N-[4-(2-methylpropanoyl)cyclohexyl]-3-(4-propan-2-yloxycyclohexyl)oxypropanamide is CC(C)OC1CCC(OCCC(=O)NC2CCC(C(=O)C(C)C)CC2)CC1.
What is the InChIKey of N-[4-(2-methylpropanoyl)cyclohexyl]-3-(4-propan-2-yloxycyclohexyl)oxypropanamide?
The InChIKey is HSJGZSDQYHMXLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H39NO4/c1-15(2)22(25)17-5-7-18(8-6-17)23-21(24)13-14-26-19-9-11-20(12-10-19)27-16(3)4/h15-20H,5-14H2,1-4H3,(H,23,24).
What are the key properties of N-[4-(2-methylpropanoyl)cyclohexyl]-3-(4-propan-2-yloxycyclohexyl)oxypropanamide?
N-[4-(2-methylpropanoyl)cyclohexyl]-3-(4-propan-2-yloxycyclohexyl)oxypropanamide has a molecular weight of 381.56 g/mol, XLogP of 4.03, 9 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-yloxycyclohexyl)oxypropanamide is sourced from PubChem (CID 169158788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).