2-chloro-N-(2,3,3,5,5-pentamethylcyclohexen-1-yl)-N-prop-2-enylacetamide

C16H26ClNO — CID 70451558

IUPAC2-chloro-N-(2,3,3,5,5-pentamethylcyclohexen-1-yl)-N-prop-2-enylacetamide
SMILESC=CCN(C(=O)CCl)C1=C(C)C(C)(C)CC(C)(C)C1
InChIInChI=1S/C16H26ClNO/c1-7-8-18(14(19)10-17)13-9-15(3,4)11-16(5,6)12(13)2/h7H,1,8-11H2,2-6H3
InChIKeyILLNTVOVIXAOKJ-UHFFFAOYSA-N
MW283.84 g/mol
LogP4.36
Rot. Bonds4

About 2-chloro-N-(2,3,3,5,5-pentamethylcyclohexen-1-yl)-N-prop-2-enylacetamide

2-chloro-N-(2,3,3,5,5-pentamethylcyclohexen-1-yl)-N-prop-2-enylacetamide (PubChem CID 70451558) has the molecular formula C16H26ClNO and a molecular weight of 283.84 g/mol. Its IUPAC name is 2-chloro-N-(2,3,3,5,5-pentamethylcyclohexen-1-yl)-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2-chloro-N-(2,3,3,5,5-pentamethylcyclohexen-1-yl)-N-prop-2-enylacetamide
PubChem CID70451558
Molecular FormulaC16H26ClNO
Molecular Weight283.84 g/mol
Exact Mass283.17
IUPAC Name2-chloro-N-(2,3,3,5,5-pentamethylcyclohexen-1-yl)-N-prop-2-enylacetamide
SMILESC=CCN(C(=O)CCl)C1=C(C)C(C)(C)CC(C)(C)C1
InChIInChI=1S/C16H26ClNO/c1-7-8-18(14(19)10-17)13-9-15(3,4)11-16(5,6)12(13)2/h7H,1,8-11H2,2-6H3
InChIKeyILLNTVOVIXAOKJ-UHFFFAOYSA-N
XLogP4.36
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.84
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-(2-chloroethyl)-N-(2,3,3,5,5-pentamethylcyclohexen-1-yl)acetamide
CID 70451732
2-chloro-N-prop-2-enyl-N-(2,3,5,5-tetramethylcyclohexen-1-yl)acetamide
CID 70451494
2-chloro-N-ethyl-N-(3,3,5,5-tetramethylcyclohexen-1-yl)acetamide
CID 70451533
N,2-dichloro-N-prop-2-enylacetamide
CID 19826575
2-chloro-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]-N-prop-2-enylacetamide
CID 99976512
2-chloro-N-(2-methyl-1-phenylprop-1-enyl)-N-prop-2-enylacetamide
CID 14326547
2-chloro-N-[(4-propan-2-ylphenyl)methyl]-N-prop-2-enylacetamide
CID 39365300
N-(3-hydroxy-2,6-dimethylphenyl)-N-prop-2-enylacetamide
CID 70564119
(4-chloro-2-methylphenyl)-prop-2-enylcarbamic acid
CID 69481778
2-chloro-N-(2,6-dimethylphenyl)-N-(3-prop-2-enoxyiminobutan-2-yl)acetamide
CID 86737669
2-chloro-N-(2-methylcyclohexen-1-yl)-N-(propoxymethyl)acetamide
CID 12947605
2-chloro-N-phenyl-N-prop-2-enylpropanamide
CID 14417035

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2,3,3,5,5-pentamethylcyclohexen-1-yl)-N-prop-2-enylacetamide?
The IUPAC name of 2-chloro-N-(2,3,3,5,5-pentamethylcyclohexen-1-yl)-N-prop-2-enylacetamide (CID 70451558) is 2-chloro-N-(2,3,3,5,5-pentamethylcyclohexen-1-yl)-N-prop-2-enylacetamide.
What is the SMILES notation for 2-chloro-N-(2,3,3,5,5-pentamethylcyclohexen-1-yl)-N-prop-2-enylacetamide?
The canonical SMILES for 2-chloro-N-(2,3,3,5,5-pentamethylcyclohexen-1-yl)-N-prop-2-enylacetamide is C=CCN(C(=O)CCl)C1=C(C)C(C)(C)CC(C)(C)C1.
What is the InChIKey of 2-chloro-N-(2,3,3,5,5-pentamethylcyclohexen-1-yl)-N-prop-2-enylacetamide?
The InChIKey is ILLNTVOVIXAOKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26ClNO/c1-7-8-18(14(19)10-17)13-9-15(3,4)11-16(5,6)12(13)2/h7H,1,8-11H2,2-6H3.
What are the key properties of 2-chloro-N-(2,3,3,5,5-pentamethylcyclohexen-1-yl)-N-prop-2-enylacetamide?
2-chloro-N-(2,3,3,5,5-pentamethylcyclohexen-1-yl)-N-prop-2-enylacetamide has a molecular weight of 283.84 g/mol, XLogP of 4.36, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2,3,3,5,5-pentamethylcyclohexen-1-yl)-N-prop-2-enylacetamide is sourced from PubChem (CID 70451558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).