N-cycloheptyl-2-(2,3-dimethylphenoxy)propanamide

C18H27NO2 — CID 46771593

IUPACN-cycloheptyl-2-(2,3-dimethylphenoxy)propanamide
SMILESCc1cccc(OC(C)C(=O)NC2CCCCCC2)c1C
InChIInChI=1S/C18H27NO2/c1-13-9-8-12-17(14(13)2)21-15(3)18(20)19-16-10-6-4-5-7-11-16/h8-9,12,15-16H,4-7,10-11H2,1-3H3,(H,19,20)
InChIKeyVWHYNVPELZUUML-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.91
Rot. Bonds4

About N-cycloheptyl-2-(2,3-dimethylphenoxy)propanamide

N-cycloheptyl-2-(2,3-dimethylphenoxy)propanamide (PubChem CID 46771593) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is N-cycloheptyl-2-(2,3-dimethylphenoxy)propanamide.

Molecular Properties

Compound NameN-cycloheptyl-2-(2,3-dimethylphenoxy)propanamide
PubChem CID46771593
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC NameN-cycloheptyl-2-(2,3-dimethylphenoxy)propanamide
SMILESCc1cccc(OC(C)C(=O)NC2CCCCCC2)c1C
InChIInChI=1S/C18H27NO2/c1-13-9-8-12-17(14(13)2)21-15(3)18(20)19-16-10-6-4-5-7-11-16/h8-9,12,15-16H,4-7,10-11H2,1-3H3,(H,19,20)
InChIKeyVWHYNVPELZUUML-UHFFFAOYSA-N
XLogP3.91
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-N-cyclopropyl-2-(2,3-dimethylphenoxy)propanamide
CID 39717598
(2S)-N-cyclooctyl-2-(2-methylphenoxy)propanamide
CID 94842700
2-(3-amino-2-methylphenoxy)-N-cyclopentylpropanamide
CID 43437833
N-cyclohexyl-2-[2-(2,3-dimethylphenoxy)propanoylamino]benzamide
CID 132763349
(2S)-N-cyclooctyl-2-(2,3-dimethylphenoxy)butanamide
CID 94027154
N-cyclooctyl-2-(2,3,5-trimethylphenoxy)propanamide
CID 46771023
(2R)-N-cyclopentyl-2-(2,3-dimethylphenoxy)butanamide
CID 92677449
(2S)-2-(2,3-dimethylphenoxy)-N-[(3R)-1,1-dioxothiolan-3-yl]propanamide
CID 1306688
2-(2-acetylphenoxy)-N-cyclohexylpropanamide
CID 43083117
N-cyclohexyl-2-(2-methoxyphenoxy)propanamide
CID 5003306
N-cycloheptyl-2-(2-propan-2-ylphenoxy)propanamide
CID 43904274
(2S)-N-cycloheptyl-2-(2-ethylphenoxy)propanamide
CID 93488429

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-2-(2,3-dimethylphenoxy)propanamide?
The IUPAC name of N-cycloheptyl-2-(2,3-dimethylphenoxy)propanamide (CID 46771593) is N-cycloheptyl-2-(2,3-dimethylphenoxy)propanamide.
What is the SMILES notation for N-cycloheptyl-2-(2,3-dimethylphenoxy)propanamide?
The canonical SMILES for N-cycloheptyl-2-(2,3-dimethylphenoxy)propanamide is Cc1cccc(OC(C)C(=O)NC2CCCCCC2)c1C.
What is the InChIKey of N-cycloheptyl-2-(2,3-dimethylphenoxy)propanamide?
The InChIKey is VWHYNVPELZUUML-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO2/c1-13-9-8-12-17(14(13)2)21-15(3)18(20)19-16-10-6-4-5-7-11-16/h8-9,12,15-16H,4-7,10-11H2,1-3H3,(H,19,20).
What are the key properties of N-cycloheptyl-2-(2,3-dimethylphenoxy)propanamide?
N-cycloheptyl-2-(2,3-dimethylphenoxy)propanamide has a molecular weight of 289.42 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-2-(2,3-dimethylphenoxy)propanamide is sourced from PubChem (CID 46771593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).