4-oxo-4-(4-pentoxyphenyl)-N-pyrrolidin-3-ylbutanamide;hydrochloride

C19H29ClN2O3 — CID 119453244

IUPAC4-oxo-4-(4-pentoxyphenyl)-N-pyrrolidin-3-ylbutanamide;hydrochloride
SMILESCCCCCOc1ccc(C(=O)CCC(=O)NC2CCNC2)cc1.Cl
InChIInChI=1S/C19H28N2O3.ClH/c1-2-3-4-13-24-17-7-5-15(6-8-17)18(22)9-10-19(23)21-16-11-12-20-14-16;/h5-8,16,20H,2-4,9-14H2,1H3,(H,21,23);1H
InChIKeyXMBLVXWPFSONHG-UHFFFAOYSA-N
MW368.91 g/mol
LogP3.12
Rot. Bonds10

About 4-oxo-4-(4-pentoxyphenyl)-N-pyrrolidin-3-ylbutanamide;hydrochloride

4-oxo-4-(4-pentoxyphenyl)-N-pyrrolidin-3-ylbutanamide;hydrochloride (PubChem CID 119453244) has the molecular formula C19H29ClN2O3 and a molecular weight of 368.91 g/mol. Its IUPAC name is 4-oxo-4-(4-pentoxyphenyl)-N-pyrrolidin-3-ylbutanamide;hydrochloride.

Molecular Properties

Compound Name4-oxo-4-(4-pentoxyphenyl)-N-pyrrolidin-3-ylbutanamide;hydrochloride
PubChem CID119453244
Molecular FormulaC19H29ClN2O3
Molecular Weight368.91 g/mol
Exact Mass368.19
IUPAC Name4-oxo-4-(4-pentoxyphenyl)-N-pyrrolidin-3-ylbutanamide;hydrochloride
SMILESCCCCCOc1ccc(C(=O)CCC(=O)NC2CCNC2)cc1.Cl
InChIInChI=1S/C19H28N2O3.ClH/c1-2-3-4-13-24-17-7-5-15(6-8-17)18(22)9-10-19(23)21-16-11-12-20-14-16;/h5-8,16,20H,2-4,9-14H2,1H3,(H,21,23);1H
InChIKeyXMBLVXWPFSONHG-UHFFFAOYSA-N
XLogP3.12
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.91
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-methylpiperidin-4-yl)-4-oxo-4-(4-pentoxyphenyl)butanamide
CID 120553976
4-pentoxy-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119453192
4-(4-methoxyphenyl)-4-oxo-N-piperidin-3-ylbutanamide;hydrochloride
CID 119426453
4-(4-methoxyphenyl)-4-oxo-N-piperidin-3-ylbutanamide
CID 119426454
N-methyl-4-oxo-4-(4-pentoxyphenyl)-N-pyrrolidin-3-ylbutanamide;hydrochloride
CID 119553689
4-(4-acetylphenoxy)-N-piperidin-3-ylbutanamide;hydrochloride
CID 119424890
5-(4-methylsulfonylphenoxy)-N-pyrrolidin-3-ylpentanamide;hydrochloride
CID 119451061
4-(4-ethylphenyl)-4-oxo-N-piperidin-3-ylbutanamide
CID 119425791
4-ethoxy-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119453188
4-(4-ethoxyphenyl)-N-(3-methylpiperidin-4-yl)-4-oxobutanamide
CID 120555349
N-piperidin-3-yl-3-(4-propoxyphenyl)propanamide;hydrochloride
CID 119427303
N-cyclopropyl-2-[4-[4-oxo-4-(4-pentoxyphenyl)butanoyl]piperazin-1-yl]acetamide
CID 55389748

Frequently Asked Questions

What is the IUPAC name of 4-oxo-4-(4-pentoxyphenyl)-N-pyrrolidin-3-ylbutanamide;hydrochloride?
The IUPAC name of 4-oxo-4-(4-pentoxyphenyl)-N-pyrrolidin-3-ylbutanamide;hydrochloride (CID 119453244) is 4-oxo-4-(4-pentoxyphenyl)-N-pyrrolidin-3-ylbutanamide;hydrochloride.
What is the SMILES notation for 4-oxo-4-(4-pentoxyphenyl)-N-pyrrolidin-3-ylbutanamide;hydrochloride?
The canonical SMILES for 4-oxo-4-(4-pentoxyphenyl)-N-pyrrolidin-3-ylbutanamide;hydrochloride is CCCCCOc1ccc(C(=O)CCC(=O)NC2CCNC2)cc1.Cl.
What is the InChIKey of 4-oxo-4-(4-pentoxyphenyl)-N-pyrrolidin-3-ylbutanamide;hydrochloride?
The InChIKey is XMBLVXWPFSONHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O3.ClH/c1-2-3-4-13-24-17-7-5-15(6-8-17)18(22)9-10-19(23)21-16-11-12-20-14-16;/h5-8,16,20H,2-4,9-14H2,1H3,(H,21,23);1H.
What are the key properties of 4-oxo-4-(4-pentoxyphenyl)-N-pyrrolidin-3-ylbutanamide;hydrochloride?
4-oxo-4-(4-pentoxyphenyl)-N-pyrrolidin-3-ylbutanamide;hydrochloride has a molecular weight of 368.91 g/mol, XLogP of 3.12, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-4-(4-pentoxyphenyl)-N-pyrrolidin-3-ylbutanamide;hydrochloride is sourced from PubChem (CID 119453244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).