N-[[1-(chloromethyl)cyclohexyl]methyl]decanamide

C18H34ClNO — CID 103969577

IUPACN-[[1-(chloromethyl)cyclohexyl]methyl]decanamide
SMILESCCCCCCCCCC(=O)NCC1(CCl)CCCCC1
InChIInChI=1S/C18H34ClNO/c1-2-3-4-5-6-7-9-12-17(21)20-16-18(15-19)13-10-8-11-14-18/h2-16H2,1H3,(H,20,21)
InChIKeyLNCHZTJLZATQNJ-UHFFFAOYSA-N
MW315.93 g/mol
LogP5.43
Rot. Bonds11

About N-[[1-(chloromethyl)cyclohexyl]methyl]decanamide

N-[[1-(chloromethyl)cyclohexyl]methyl]decanamide (PubChem CID 103969577) has the molecular formula C18H34ClNO and a molecular weight of 315.93 g/mol. Its IUPAC name is N-[[1-(chloromethyl)cyclohexyl]methyl]decanamide.

Molecular Properties

Compound NameN-[[1-(chloromethyl)cyclohexyl]methyl]decanamide
PubChem CID103969577
Molecular FormulaC18H34ClNO
Molecular Weight315.93 g/mol
Exact Mass315.23
IUPAC NameN-[[1-(chloromethyl)cyclohexyl]methyl]decanamide
SMILESCCCCCCCCCC(=O)NCC1(CCl)CCCCC1
InChIInChI=1S/C18H34ClNO/c1-2-3-4-5-6-7-9-12-17(21)20-16-18(15-19)13-10-8-11-14-18/h2-16H2,1H3,(H,20,21)
InChIKeyLNCHZTJLZATQNJ-UHFFFAOYSA-N
XLogP5.43
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.93
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[[1-(chloromethyl)cyclopentyl]methyl]octanamide
CID 115363870
N-[[1-(bromomethyl)cyclohexyl]methyl]hexanamide
CID 103969906
N-[[1-(aminomethyl)cyclopentyl]methyl]heptanamide
CID 114754126
2-[1-[(heptanoylamino)methyl]cyclobutyl]acetic acid
CID 81165521
N-[[1-(chloromethyl)cyclopropyl]methyl]butanamide
CID 115456097
N-[(1-hydroxycyclobutyl)methyl]nonanamide
CID 115668880
N-[[1-(bromomethyl)cyclopropyl]methyl]dodecanamide
CID 115456236
N-[(1-ethylcyclohexyl)methyl]acetamide;N-[(1-ethylcyclohexyl)methyl]dodecanamide;N-[(1-ethylcyclohexyl)methyl]heptanamide;N-[(1-ethylcyclohexyl)methyl]hexanamide;N-[(1-ethylcyclohexyl)methyl]undecanamide;N-[[1-(2-oxopropyl)cyclohexyl]methyl]decanamide;N-[[1-(2-oxopropyl)cyclohexyl]methyl]nonanamide;N-[[1-(2-oxopropyl)cyclohexyl]methyl]octanamide
CID 161460753
5-chloro-N-[[1-(hydroxymethyl)cyclohexyl]methyl]pentanamide
CID 103966027
N-[(1-aminocyclobutyl)methyl]decanamide
CID 113412065
6-[(1-ethylcyclopentyl)methylamino]-6-oxohexanoic acid
CID 114124800
4-chloro-N-[[1-(hydroxymethyl)cyclohexyl]methyl]butanamide
CID 103966037

Frequently Asked Questions

What is the IUPAC name of N-[[1-(chloromethyl)cyclohexyl]methyl]decanamide?
The IUPAC name of N-[[1-(chloromethyl)cyclohexyl]methyl]decanamide (CID 103969577) is N-[[1-(chloromethyl)cyclohexyl]methyl]decanamide.
What is the SMILES notation for N-[[1-(chloromethyl)cyclohexyl]methyl]decanamide?
The canonical SMILES for N-[[1-(chloromethyl)cyclohexyl]methyl]decanamide is CCCCCCCCCC(=O)NCC1(CCl)CCCCC1.
What is the InChIKey of N-[[1-(chloromethyl)cyclohexyl]methyl]decanamide?
The InChIKey is LNCHZTJLZATQNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34ClNO/c1-2-3-4-5-6-7-9-12-17(21)20-16-18(15-19)13-10-8-11-14-18/h2-16H2,1H3,(H,20,21).
What are the key properties of N-[[1-(chloromethyl)cyclohexyl]methyl]decanamide?
N-[[1-(chloromethyl)cyclohexyl]methyl]decanamide has a molecular weight of 315.93 g/mol, XLogP of 5.43, 11 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]decanamide is sourced from PubChem (CID 103969577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).