N-[[1-(chloromethyl)cyclohexyl]methyl]-2-ethylhexanamide

C16H30ClNO — CID 103969559

IUPACN-[[1-(chloromethyl)cyclohexyl]methyl]-2-ethylhexanamide
SMILESCCCCC(CC)C(=O)NCC1(CCl)CCCCC1
InChIInChI=1S/C16H30ClNO/c1-3-5-9-14(4-2)15(19)18-13-16(12-17)10-7-6-8-11-16/h14H,3-13H2,1-2H3,(H,18,19)
InChIKeyHKGQKZNDYOZGJR-UHFFFAOYSA-N
MW287.87 g/mol
LogP4.51
Rot. Bonds8

About N-[[1-(chloromethyl)cyclohexyl]methyl]-2-ethylhexanamide

N-[[1-(chloromethyl)cyclohexyl]methyl]-2-ethylhexanamide (PubChem CID 103969559) has the molecular formula C16H30ClNO and a molecular weight of 287.87 g/mol. Its IUPAC name is N-[[1-(chloromethyl)cyclohexyl]methyl]-2-ethylhexanamide.

Molecular Properties

Compound NameN-[[1-(chloromethyl)cyclohexyl]methyl]-2-ethylhexanamide
PubChem CID103969559
Molecular FormulaC16H30ClNO
Molecular Weight287.87 g/mol
Exact Mass287.20
IUPAC NameN-[[1-(chloromethyl)cyclohexyl]methyl]-2-ethylhexanamide
SMILESCCCCC(CC)C(=O)NCC1(CCl)CCCCC1
InChIInChI=1S/C16H30ClNO/c1-3-5-9-14(4-2)15(19)18-13-16(12-17)10-7-6-8-11-16/h14H,3-13H2,1-2H3,(H,18,19)
InChIKeyHKGQKZNDYOZGJR-UHFFFAOYSA-N
XLogP4.51
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.87
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[[1-(aminomethyl)cyclohexyl]methyl]-2-ethylhexanamide
CID 103970224
N-[[1-(aminomethyl)cyclopropyl]methyl]-2-ethylhexanamide
CID 115456860
N-[[1-(chloromethyl)cyclohexyl]methyl]-2-methylpropanamide
CID 103969430
N-[(1-ethylcyclohexyl)methyl]-2-propylpentanamide
CID 118545273
2-ethyl-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]hexanamide
CID 65123686
2-ethyl-N-[2-(2-ethylhexanoylamino)ethyl]hexanamide
CID 4675082
N-[[1-(chloromethyl)cyclohexyl]methyl]decanamide
CID 103969577
N-[[1-(chloromethyl)cyclopentyl]methyl]octanamide
CID 115363870
2-ethyl-N-pentylhexanamide
CID 5123867
2-[1-[(2-propylpentanoylamino)methyl]cyclohexyl]acetic acid
CID 82984628
N-[1-(chloromethyl)-4-methylcyclohexyl]-2-ethylhexanamide
CID 113273225
N-cyclooctyl-2-ethylhexanamide
CID 3989939

Frequently Asked Questions

What is the IUPAC name of N-[[1-(chloromethyl)cyclohexyl]methyl]-2-ethylhexanamide?
The IUPAC name of N-[[1-(chloromethyl)cyclohexyl]methyl]-2-ethylhexanamide (CID 103969559) is N-[[1-(chloromethyl)cyclohexyl]methyl]-2-ethylhexanamide.
What is the SMILES notation for N-[[1-(chloromethyl)cyclohexyl]methyl]-2-ethylhexanamide?
The canonical SMILES for N-[[1-(chloromethyl)cyclohexyl]methyl]-2-ethylhexanamide is CCCCC(CC)C(=O)NCC1(CCl)CCCCC1.
What is the InChIKey of N-[[1-(chloromethyl)cyclohexyl]methyl]-2-ethylhexanamide?
The InChIKey is HKGQKZNDYOZGJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30ClNO/c1-3-5-9-14(4-2)15(19)18-13-16(12-17)10-7-6-8-11-16/h14H,3-13H2,1-2H3,(H,18,19).
What are the key properties of N-[[1-(chloromethyl)cyclohexyl]methyl]-2-ethylhexanamide?
N-[[1-(chloromethyl)cyclohexyl]methyl]-2-ethylhexanamide has a molecular weight of 287.87 g/mol, XLogP of 4.51, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(chloromethyl)cyclohexyl]methyl]-2-ethylhexanamide is sourced from PubChem (CID 103969559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).