3-(4-methoxycyclohexyl)oxy-N-(3-propanoylcyclobutyl)propanamide

C17H29NO4 — CID 169159546

IUPAC3-(4-methoxycyclohexyl)oxy-N-(3-propanoylcyclobutyl)propanamide
SMILESCCC(=O)C1CC(NC(=O)CCOC2CCC(OC)CC2)C1
InChIInChI=1S/C17H29NO4/c1-3-16(19)12-10-13(11-12)18-17(20)8-9-22-15-6-4-14(21-2)5-7-15/h12-15H,3-11H2,1-2H3,(H,18,20)
InChIKeyBFHGPPMJXGDBEW-UHFFFAOYSA-N
MW311.42 g/mol
LogP2.22
Rot. Bonds8

About 3-(4-methoxycyclohexyl)oxy-N-(3-propanoylcyclobutyl)propanamide

3-(4-methoxycyclohexyl)oxy-N-(3-propanoylcyclobutyl)propanamide (PubChem CID 169159546) has the molecular formula C17H29NO4 and a molecular weight of 311.42 g/mol. Its IUPAC name is 3-(4-methoxycyclohexyl)oxy-N-(3-propanoylcyclobutyl)propanamide.

Molecular Properties

Compound Name3-(4-methoxycyclohexyl)oxy-N-(3-propanoylcyclobutyl)propanamide
PubChem CID169159546
Molecular FormulaC17H29NO4
Molecular Weight311.42 g/mol
Exact Mass311.21
IUPAC Name3-(4-methoxycyclohexyl)oxy-N-(3-propanoylcyclobutyl)propanamide
SMILESCCC(=O)C1CC(NC(=O)CCOC2CCC(OC)CC2)C1
InChIInChI=1S/C17H29NO4/c1-3-16(19)12-10-13(11-12)18-17(20)8-9-22-15-6-4-14(21-2)5-7-15/h12-15H,3-11H2,1-2H3,(H,18,20)
InChIKeyBFHGPPMJXGDBEW-UHFFFAOYSA-N
XLogP2.22
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.42
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-cyclohexyloxy-N-(3-propanoylcyclobutyl)butanamide;methanol;molecular hydrogen
CID 167464080
4-cyclohexyloxy-N-(3-propanoylcyclobutyl)butanamide
CID 167464081
3-cyclohexyloxy-N-[3-(2-methylpropanoyl)cyclobutyl]propanamide
CID 167464195
3-(4-ethoxycyclohexyl)oxy-N-(4-propanoylcyclohexyl)propanamide;molecular hydrogen
CID 167464209
N-[3-(2-methylpropanoyl)cyclobutyl]-4-(4-propan-2-yloxycyclohexyl)oxybutanamide;molecular hydrogen
CID 167464263
N-[3-(2-methylpropanoyl)cyclobutyl]-4-(4-propan-2-yloxycyclohexyl)oxybutanamide
CID 167464264
3-(cyclohexylmethoxy)-N-[3-(2-methylpropanoyl)cyclobutyl]propanamide;methoxymethane;molecular hydrogen
CID 167464632
molecular hydrogen;N-(3-propanoylcyclobutyl)-4-(4-propan-2-yloxycyclohexyl)oxybutanamide
CID 169158273
3-[[4-(butan-2-yloxymethyl)cyclohexyl]methoxy]-N-[3-(2-methylpropanoyl)cyclobutyl]propanamide;molecular hydrogen
CID 169158367
molecular hydrogen;N-(3-propanoylcyclobutyl)-3-[[4-(propan-2-yloxymethyl)cyclohexyl]methoxy]propanamide
CID 169158420
N-(3-propanoylcyclobutyl)-3-[[4-(propan-2-yloxymethyl)cyclohexyl]methoxy]propanamide
CID 169158421
N-[3-(2-methylpropanoyl)cyclobutyl]-3-(4-propan-2-yloxycyclohexyl)oxypropanamide
CID 169158458

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxycyclohexyl)oxy-N-(3-propanoylcyclobutyl)propanamide?
The IUPAC name of 3-(4-methoxycyclohexyl)oxy-N-(3-propanoylcyclobutyl)propanamide (CID 169159546) is 3-(4-methoxycyclohexyl)oxy-N-(3-propanoylcyclobutyl)propanamide.
What is the SMILES notation for 3-(4-methoxycyclohexyl)oxy-N-(3-propanoylcyclobutyl)propanamide?
The canonical SMILES for 3-(4-methoxycyclohexyl)oxy-N-(3-propanoylcyclobutyl)propanamide is CCC(=O)C1CC(NC(=O)CCOC2CCC(OC)CC2)C1.
What is the InChIKey of 3-(4-methoxycyclohexyl)oxy-N-(3-propanoylcyclobutyl)propanamide?
The InChIKey is BFHGPPMJXGDBEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO4/c1-3-16(19)12-10-13(11-12)18-17(20)8-9-22-15-6-4-14(21-2)5-7-15/h12-15H,3-11H2,1-2H3,(H,18,20).
What are the key properties of 3-(4-methoxycyclohexyl)oxy-N-(3-propanoylcyclobutyl)propanamide?
3-(4-methoxycyclohexyl)oxy-N-(3-propanoylcyclobutyl)propanamide has a molecular weight of 311.42 g/mol, XLogP of 2.22, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxycyclohexyl)oxy-N-(3-propanoylcyclobutyl)propanamide is sourced from PubChem (CID 169159546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).