4-(4-acetylphenoxy)-N-propyl-N-pyrrolidin-3-ylbutanamide

C19H28N2O3 — CID 119530249

IUPAC4-(4-acetylphenoxy)-N-propyl-N-pyrrolidin-3-ylbutanamide
SMILESCCCN(C(=O)CCCOc1ccc(C(C)=O)cc1)C1CCNC1
InChIInChI=1S/C19H28N2O3/c1-3-12-21(17-10-11-20-14-17)19(23)5-4-13-24-18-8-6-16(7-9-18)15(2)22/h6-9,17,20H,3-5,10-14H2,1-2H3
InChIKeyJHXQOYDLDJRNAC-UHFFFAOYSA-N
MW332.44 g/mol
LogP2.65
Rot. Bonds9

About 4-(4-acetylphenoxy)-N-propyl-N-pyrrolidin-3-ylbutanamide

4-(4-acetylphenoxy)-N-propyl-N-pyrrolidin-3-ylbutanamide (PubChem CID 119530249) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is 4-(4-acetylphenoxy)-N-propyl-N-pyrrolidin-3-ylbutanamide.

Molecular Properties

Compound Name4-(4-acetylphenoxy)-N-propyl-N-pyrrolidin-3-ylbutanamide
PubChem CID119530249
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC Name4-(4-acetylphenoxy)-N-propyl-N-pyrrolidin-3-ylbutanamide
SMILESCCCN(C(=O)CCCOc1ccc(C(C)=O)cc1)C1CCNC1
InChIInChI=1S/C19H28N2O3/c1-3-12-21(17-10-11-20-14-17)19(23)5-4-13-24-18-8-6-16(7-9-18)15(2)22/h6-9,17,20H,3-5,10-14H2,1-2H3
InChIKeyJHXQOYDLDJRNAC-UHFFFAOYSA-N
XLogP2.65
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-methoxy-N-propyl-N-pyrrolidin-3-ylpentanamide
CID 119531804
4-pentoxy-N-piperidin-4-yl-N-propylbenzamide
CID 119825577
4-(3-bromophenoxy)-N-piperidin-4-yl-N-propylbutanamide
CID 119824771
3-(3-methylphenoxy)-N-propyl-N-pyrrolidin-3-ylpropanamide
CID 60807030
2-(4-chlorophenoxy)-N-propyl-N-pyrrolidin-3-ylacetamide
CID 63301188
N-piperidin-4-yl-2-(4-propoxyphenoxy)-N-propylacetamide;hydrochloride
CID 119823177
N-propyl-N-pyrrolidin-3-yl-2-[4-(trifluoromethyl)phenoxy]acetamide;hydrochloride
CID 119532019
3-(2-methoxyphenoxy)-N-propyl-N-pyrrolidin-3-ylpropanamide
CID 119530663
4-(3-acetylphenoxy)-N-methyl-N-pyrrolidin-3-ylbutanamide
CID 119553580
2-(4-methoxyphenyl)-N-propyl-N-pyrrolidin-3-ylacetamide
CID 60807367
4-(4-acetylphenoxy)-N-piperidin-3-ylbutanamide;hydrochloride
CID 119424890
N-methyl-4-oxo-4-(4-pentoxyphenyl)-N-pyrrolidin-3-ylbutanamide;hydrochloride
CID 119553689

Frequently Asked Questions

What is the IUPAC name of 4-(4-acetylphenoxy)-N-propyl-N-pyrrolidin-3-ylbutanamide?
The IUPAC name of 4-(4-acetylphenoxy)-N-propyl-N-pyrrolidin-3-ylbutanamide (CID 119530249) is 4-(4-acetylphenoxy)-N-propyl-N-pyrrolidin-3-ylbutanamide.
What is the SMILES notation for 4-(4-acetylphenoxy)-N-propyl-N-pyrrolidin-3-ylbutanamide?
The canonical SMILES for 4-(4-acetylphenoxy)-N-propyl-N-pyrrolidin-3-ylbutanamide is CCCN(C(=O)CCCOc1ccc(C(C)=O)cc1)C1CCNC1.
What is the InChIKey of 4-(4-acetylphenoxy)-N-propyl-N-pyrrolidin-3-ylbutanamide?
The InChIKey is JHXQOYDLDJRNAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O3/c1-3-12-21(17-10-11-20-14-17)19(23)5-4-13-24-18-8-6-16(7-9-18)15(2)22/h6-9,17,20H,3-5,10-14H2,1-2H3.
What are the key properties of 4-(4-acetylphenoxy)-N-propyl-N-pyrrolidin-3-ylbutanamide?
4-(4-acetylphenoxy)-N-propyl-N-pyrrolidin-3-ylbutanamide has a molecular weight of 332.44 g/mol, XLogP of 2.65, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-acetylphenoxy)-N-propyl-N-pyrrolidin-3-ylbutanamide is sourced from PubChem (CID 119530249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).