N-[(2-chlorocyclohexyl)methyl]-2-cycloheptylacetamide

C16H28ClNO — CID 114459062

IUPACN-[(2-chlorocyclohexyl)methyl]-2-cycloheptylacetamide
SMILESO=C(CC1CCCCCC1)NCC1CCCCC1Cl
InChIInChI=1S/C16H28ClNO/c17-15-10-6-5-9-14(15)12-18-16(19)11-13-7-3-1-2-4-8-13/h13-15H,1-12H2,(H,18,19)
InChIKeyYPBVBFADNBYWTC-UHFFFAOYSA-N
MW285.86 g/mol
LogP4.26
Rot. Bonds4

About N-[(2-chlorocyclohexyl)methyl]-2-cycloheptylacetamide

N-[(2-chlorocyclohexyl)methyl]-2-cycloheptylacetamide (PubChem CID 114459062) has the molecular formula C16H28ClNO and a molecular weight of 285.86 g/mol. Its IUPAC name is N-[(2-chlorocyclohexyl)methyl]-2-cycloheptylacetamide.

Molecular Properties

Compound NameN-[(2-chlorocyclohexyl)methyl]-2-cycloheptylacetamide
PubChem CID114459062
Molecular FormulaC16H28ClNO
Molecular Weight285.86 g/mol
Exact Mass285.19
IUPAC NameN-[(2-chlorocyclohexyl)methyl]-2-cycloheptylacetamide
SMILESO=C(CC1CCCCCC1)NCC1CCCCC1Cl
InChIInChI=1S/C16H28ClNO/c17-15-10-6-5-9-14(15)12-18-16(19)11-13-7-3-1-2-4-8-13/h13-15H,1-12H2,(H,18,19)
InChIKeyYPBVBFADNBYWTC-UHFFFAOYSA-N
XLogP4.26
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.86
LogP ≤ 54.26
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-[(2-aminocyclohexyl)methyl]-2-cyclobutylacetamide
CID 103166988
N-[(2-bromocyclohexyl)methyl]-2-cyclopentylacetamide
CID 114312260
N-[[2-(bromomethyl)cyclohexyl]methyl]-2-cyclopentylacetamide
CID 114317429
N-[[2-(bromomethyl)cyclopentyl]methyl]-2-cyclobutylacetamide
CID 103166815
N-[(2-chlorocyclopentyl)methyl]-2-(oxolan-2-yl)acetamide
CID 114303017
N-[(2-chlorocyclohexyl)methyl]cyclopentanecarboxamide
CID 114301412
N-[[2-(chloromethyl)cyclohexyl]methyl]-2-(thian-4-yl)acetamide
CID 83135748
N-[(2-chlorocyclohexyl)methyl]decanamide
CID 114301448
2-cycloheptyl-N-(piperidin-4-ylmethyl)acetamide
CID 115736681
N-[(2-chlorocyclohexyl)methyl]-2-propoxyacetamide
CID 107941165
2-(azetidin-3-yl)-N-(cyclohexylmethyl)acetamide
CID 64615957
2-(4-aminocyclohexyl)-N-(cyclopentylmethyl)acetamide
CID 62782345

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorocyclohexyl)methyl]-2-cycloheptylacetamide?
The IUPAC name of N-[(2-chlorocyclohexyl)methyl]-2-cycloheptylacetamide (CID 114459062) is N-[(2-chlorocyclohexyl)methyl]-2-cycloheptylacetamide.
What is the SMILES notation for N-[(2-chlorocyclohexyl)methyl]-2-cycloheptylacetamide?
The canonical SMILES for N-[(2-chlorocyclohexyl)methyl]-2-cycloheptylacetamide is O=C(CC1CCCCCC1)NCC1CCCCC1Cl.
What is the InChIKey of N-[(2-chlorocyclohexyl)methyl]-2-cycloheptylacetamide?
The InChIKey is YPBVBFADNBYWTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28ClNO/c17-15-10-6-5-9-14(15)12-18-16(19)11-13-7-3-1-2-4-8-13/h13-15H,1-12H2,(H,18,19).
What are the key properties of N-[(2-chlorocyclohexyl)methyl]-2-cycloheptylacetamide?
N-[(2-chlorocyclohexyl)methyl]-2-cycloheptylacetamide has a molecular weight of 285.86 g/mol, XLogP of 4.26, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorocyclohexyl)methyl]-2-cycloheptylacetamide is sourced from PubChem (CID 114459062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).