N-cycloheptyl-2-(4-propanoylphenoxy)acetamide

C18H25NO3 — CID 2549658

IUPACN-cycloheptyl-2-(4-propanoylphenoxy)acetamide
SMILESCCC(=O)c1ccc(OCC(=O)NC2CCCCCC2)cc1
InChIInChI=1S/C18H25NO3/c1-2-17(20)14-9-11-16(12-10-14)22-13-18(21)19-15-7-5-3-4-6-8-15/h9-12,15H,2-8,13H2,1H3,(H,19,21)
InChIKeyXWEIGDZMQGSWHQ-UHFFFAOYSA-N
MW303.40 g/mol
LogP3.50
Rot. Bonds6

About N-cycloheptyl-2-(4-propanoylphenoxy)acetamide

N-cycloheptyl-2-(4-propanoylphenoxy)acetamide (PubChem CID 2549658) has the molecular formula C18H25NO3 and a molecular weight of 303.40 g/mol. Its IUPAC name is N-cycloheptyl-2-(4-propanoylphenoxy)acetamide.

Molecular Properties

Compound NameN-cycloheptyl-2-(4-propanoylphenoxy)acetamide
PubChem CID2549658
Molecular FormulaC18H25NO3
Molecular Weight303.40 g/mol
Exact Mass303.18
IUPAC NameN-cycloheptyl-2-(4-propanoylphenoxy)acetamide
SMILESCCC(=O)c1ccc(OCC(=O)NC2CCCCCC2)cc1
InChIInChI=1S/C18H25NO3/c1-2-17(20)14-9-11-16(12-10-14)22-13-18(21)19-15-7-5-3-4-6-8-15/h9-12,15H,2-8,13H2,1H3,(H,19,21)
InChIKeyXWEIGDZMQGSWHQ-UHFFFAOYSA-N
XLogP3.50
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.40
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(cyclohexylamino)-2-oxoethyl] 2-(4-propanoylphenoxy)acetate
CID 7855189
2-(4-acetylphenoxy)-N-cyclohexylacetamide
CID 2621514
N-(cyclohexylmethyl)-2-(4-propanoylphenoxy)acetamide
CID 78760578
N-cyclododecyl-2-(4-methylphenoxy)acetamide
CID 2788426
N-cyclopentyl-2-[[2-(4-propanoylphenoxy)acetyl]amino]benzamide
CID 26084463
N-cycloheptyl-2-[4-(methylamino)phenoxy]acetamide
CID 61027576
N-cyclohexyl-2-[4-(4-methylphenyl)phenoxy]acetamide
CID 720119
2-(4-chlorophenoxy)-N-cyclooctylacetamide
CID 875180
N-cyclohexyl-2-(4-iodophenoxy)acetamide
CID 1313853
2-(4-acetamidophenoxy)-N-cyclooctylacetamide
CID 112774945
2-[4-(1-aminoethyl)phenoxy]-N-cyclopentylacetamide
CID 43186036
N-cyclopentyl-2-[4-(hydroxymethyl)phenoxy]acetamide
CID 28561633

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-2-(4-propanoylphenoxy)acetamide?
The IUPAC name of N-cycloheptyl-2-(4-propanoylphenoxy)acetamide (CID 2549658) is N-cycloheptyl-2-(4-propanoylphenoxy)acetamide.
What is the SMILES notation for N-cycloheptyl-2-(4-propanoylphenoxy)acetamide?
The canonical SMILES for N-cycloheptyl-2-(4-propanoylphenoxy)acetamide is CCC(=O)c1ccc(OCC(=O)NC2CCCCCC2)cc1.
What is the InChIKey of N-cycloheptyl-2-(4-propanoylphenoxy)acetamide?
The InChIKey is XWEIGDZMQGSWHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO3/c1-2-17(20)14-9-11-16(12-10-14)22-13-18(21)19-15-7-5-3-4-6-8-15/h9-12,15H,2-8,13H2,1H3,(H,19,21).
What are the key properties of N-cycloheptyl-2-(4-propanoylphenoxy)acetamide?
N-cycloheptyl-2-(4-propanoylphenoxy)acetamide has a molecular weight of 303.40 g/mol, XLogP of 3.50, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-2-(4-propanoylphenoxy)acetamide is sourced from PubChem (CID 2549658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).