N-[(4-chlorocyclohexyl)methyl]-2-(3-ethoxycyclobutyl)acetamide

C15H26ClNO2 — CID 114147988

IUPACN-[(4-chlorocyclohexyl)methyl]-2-(3-ethoxycyclobutyl)acetamide
SMILESCCOC1CC(CC(=O)NCC2CCC(Cl)CC2)C1
InChIInChI=1S/C15H26ClNO2/c1-2-19-14-7-12(8-14)9-15(18)17-10-11-3-5-13(16)6-4-11/h11-14H,2-10H2,1H3,(H,17,18)
InChIKeyVRZCPVSMIFJVDS-UHFFFAOYSA-N
MW287.83 g/mol
LogP3.11
Rot. Bonds6

About N-[(4-chlorocyclohexyl)methyl]-2-(3-ethoxycyclobutyl)acetamide

N-[(4-chlorocyclohexyl)methyl]-2-(3-ethoxycyclobutyl)acetamide (PubChem CID 114147988) has the molecular formula C15H26ClNO2 and a molecular weight of 287.83 g/mol. Its IUPAC name is N-[(4-chlorocyclohexyl)methyl]-2-(3-ethoxycyclobutyl)acetamide.

Molecular Properties

Compound NameN-[(4-chlorocyclohexyl)methyl]-2-(3-ethoxycyclobutyl)acetamide
PubChem CID114147988
Molecular FormulaC15H26ClNO2
Molecular Weight287.83 g/mol
Exact Mass287.17
IUPAC NameN-[(4-chlorocyclohexyl)methyl]-2-(3-ethoxycyclobutyl)acetamide
SMILESCCOC1CC(CC(=O)NCC2CCC(Cl)CC2)C1
InChIInChI=1S/C15H26ClNO2/c1-2-19-14-7-12(8-14)9-15(18)17-10-11-3-5-13(16)6-4-11/h11-14H,2-10H2,1H3,(H,17,18)
InChIKeyVRZCPVSMIFJVDS-UHFFFAOYSA-N
XLogP3.11
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.83
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[[2-(3-ethoxycyclobutyl)acetyl]amino]acetic acid
CID 103161702
N-(3-chloropropyl)-2-(3-ethoxycyclobutyl)acetamide
CID 103164383
N-[(4-chlorocyclohexyl)methyl]butanamide
CID 106133703
2-(3-ethoxycyclobutyl)-N-pent-4-ynylacetamide
CID 103270054
N-[(4-chlorocyclohexyl)methyl]-3-methylbutanamide
CID 106133604
N-[(4-chlorocyclohexyl)methyl]octanamide
CID 106133761
2-(3-ethoxycyclobutyl)-N-[2-(methylamino)propyl]acetamide
CID 103512576
N-[3-(2-bromoethoxy)propyl]-2-(3-ethoxycyclobutyl)acetamide
CID 106307815
2-(3-ethoxycyclobutyl)-N-(2-hydroxypentyl)acetamide
CID 103164764
5-[[2-(3-ethoxycyclobutyl)acetyl]amino]pentanoic acid
CID 103161944
N-(2-amino-2-hydroxyiminoethyl)-2-(3-ethoxycyclobutyl)acetamide
CID 103166100
N-[3-(2-aminoethoxy)propyl]-2-(3-ethoxycyclobutyl)acetamide
CID 106307941

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorocyclohexyl)methyl]-2-(3-ethoxycyclobutyl)acetamide?
The IUPAC name of N-[(4-chlorocyclohexyl)methyl]-2-(3-ethoxycyclobutyl)acetamide (CID 114147988) is N-[(4-chlorocyclohexyl)methyl]-2-(3-ethoxycyclobutyl)acetamide.
What is the SMILES notation for N-[(4-chlorocyclohexyl)methyl]-2-(3-ethoxycyclobutyl)acetamide?
The canonical SMILES for N-[(4-chlorocyclohexyl)methyl]-2-(3-ethoxycyclobutyl)acetamide is CCOC1CC(CC(=O)NCC2CCC(Cl)CC2)C1.
What is the InChIKey of N-[(4-chlorocyclohexyl)methyl]-2-(3-ethoxycyclobutyl)acetamide?
The InChIKey is VRZCPVSMIFJVDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26ClNO2/c1-2-19-14-7-12(8-14)9-15(18)17-10-11-3-5-13(16)6-4-11/h11-14H,2-10H2,1H3,(H,17,18).
What are the key properties of N-[(4-chlorocyclohexyl)methyl]-2-(3-ethoxycyclobutyl)acetamide?
N-[(4-chlorocyclohexyl)methyl]-2-(3-ethoxycyclobutyl)acetamide has a molecular weight of 287.83 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorocyclohexyl)methyl]-2-(3-ethoxycyclobutyl)acetamide is sourced from PubChem (CID 114147988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).