N-cycloheptyl-2-(2-propan-2-ylphenoxy)propanamide

C19H29NO2 — CID 43904274

IUPACN-cycloheptyl-2-(2-propan-2-ylphenoxy)propanamide
SMILESCC(Oc1ccccc1C(C)C)C(=O)NC1CCCCCC1
InChIInChI=1S/C19H29NO2/c1-14(2)17-12-8-9-13-18(17)22-15(3)19(21)20-16-10-6-4-5-7-11-16/h8-9,12-16H,4-7,10-11H2,1-3H3,(H,20,21)
InChIKeyFEMHENMJBVBAAF-UHFFFAOYSA-N
MW303.45 g/mol
LogP4.42
Rot. Bonds5

About N-cycloheptyl-2-(2-propan-2-ylphenoxy)propanamide

N-cycloheptyl-2-(2-propan-2-ylphenoxy)propanamide (PubChem CID 43904274) has the molecular formula C19H29NO2 and a molecular weight of 303.45 g/mol. Its IUPAC name is N-cycloheptyl-2-(2-propan-2-ylphenoxy)propanamide.

Molecular Properties

Compound NameN-cycloheptyl-2-(2-propan-2-ylphenoxy)propanamide
PubChem CID43904274
Molecular FormulaC19H29NO2
Molecular Weight303.45 g/mol
Exact Mass303.22
IUPAC NameN-cycloheptyl-2-(2-propan-2-ylphenoxy)propanamide
SMILESCC(Oc1ccccc1C(C)C)C(=O)NC1CCCCCC1
InChIInChI=1S/C19H29NO2/c1-14(2)17-12-8-9-13-18(17)22-15(3)19(21)20-16-10-6-4-5-7-11-16/h8-9,12-16H,4-7,10-11H2,1-3H3,(H,20,21)
InChIKeyFEMHENMJBVBAAF-UHFFFAOYSA-N
XLogP4.42
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-N-cyclooctyl-2-(2-methylphenoxy)propanamide
CID 94842700
N-cyclohexyl-2-(2-methoxyphenoxy)propanamide
CID 5003306
N-cyclopentyl-2-[2-(1-hydroxypropyl)phenoxy]propanamide
CID 43503517
(2S)-N-cycloheptyl-2-(2-ethylphenoxy)propanamide
CID 93488429
(2S)-N-cyclopentyl-2-(2-methoxyphenoxy)propanamide
CID 42082135
2-(2-acetylphenoxy)-N-cyclohexylpropanamide
CID 43083117
(2R)-2-(2-acetamidophenoxy)-N-cyclohexylpropanamide
CID 9111099
N-[1-(3-cyclohexylpropanoyl)piperidin-4-yl]-2-(2-propan-2-ylphenoxy)propanamide
CID 108552919
(2R)-N-cycloheptyl-2-phenoxypropanamide
CID 669971
N-cyclohexyl-2-(2-propan-2-ylphenoxy)acetamide
CID 725880
N-cycloheptyl-2-(2,3-dimethylphenoxy)propanamide
CID 46771593
ethyl 4-[2-(2-propan-2-ylphenoxy)propanoylamino]piperidine-1-carboxylate
CID 108560850

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-2-(2-propan-2-ylphenoxy)propanamide?
The IUPAC name of N-cycloheptyl-2-(2-propan-2-ylphenoxy)propanamide (CID 43904274) is N-cycloheptyl-2-(2-propan-2-ylphenoxy)propanamide.
What is the SMILES notation for N-cycloheptyl-2-(2-propan-2-ylphenoxy)propanamide?
The canonical SMILES for N-cycloheptyl-2-(2-propan-2-ylphenoxy)propanamide is CC(Oc1ccccc1C(C)C)C(=O)NC1CCCCCC1.
What is the InChIKey of N-cycloheptyl-2-(2-propan-2-ylphenoxy)propanamide?
The InChIKey is FEMHENMJBVBAAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO2/c1-14(2)17-12-8-9-13-18(17)22-15(3)19(21)20-16-10-6-4-5-7-11-16/h8-9,12-16H,4-7,10-11H2,1-3H3,(H,20,21).
What are the key properties of N-cycloheptyl-2-(2-propan-2-ylphenoxy)propanamide?
N-cycloheptyl-2-(2-propan-2-ylphenoxy)propanamide has a molecular weight of 303.45 g/mol, XLogP of 4.42, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-2-(2-propan-2-ylphenoxy)propanamide is sourced from PubChem (CID 43904274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).