N-(4-pentylphenyl)-2-pyrrolidin-2-ylacetamide

C17H26N2O — CID 61363717

IUPACN-(4-pentylphenyl)-2-pyrrolidin-2-ylacetamide
SMILESCCCCCc1ccc(NC(=O)CC2CCCN2)cc1
InChIInChI=1S/C17H26N2O/c1-2-3-4-6-14-8-10-15(11-9-14)19-17(20)13-16-7-5-12-18-16/h8-11,16,18H,2-7,12-13H2,1H3,(H,19,20)
InChIKeyFKMXDJRBVPVEFH-UHFFFAOYSA-N
MW274.41 g/mol
LogP3.50
Rot. Bonds7

About N-(4-pentylphenyl)-2-pyrrolidin-2-ylacetamide

N-(4-pentylphenyl)-2-pyrrolidin-2-ylacetamide (PubChem CID 61363717) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is N-(4-pentylphenyl)-2-pyrrolidin-2-ylacetamide.

Molecular Properties

Compound NameN-(4-pentylphenyl)-2-pyrrolidin-2-ylacetamide
PubChem CID61363717
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC NameN-(4-pentylphenyl)-2-pyrrolidin-2-ylacetamide
SMILESCCCCCc1ccc(NC(=O)CC2CCCN2)cc1
InChIInChI=1S/C17H26N2O/c1-2-3-4-6-14-8-10-15(11-9-14)19-17(20)13-16-7-5-12-18-16/h8-11,16,18H,2-7,12-13H2,1H3,(H,19,20)
InChIKeyFKMXDJRBVPVEFH-UHFFFAOYSA-N
XLogP3.50
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-pyrrolidin-2-yl-N-[4-(3,3,3-trifluoropropyl)phenyl]acetamide
CID 119808865
N-(4-acetamidophenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119669050
N-(4-pentylphenyl)-2-piperidin-4-ylacetamide
CID 61247684
2-[4-[(2-pyrrolidin-2-ylacetyl)amino]phenyl]acetic acid
CID 61366052
N-[4-(butylsulfonylamino)phenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119800516
N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119719041
N-(4-chlorophenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119671239
2-pyrrolidin-2-yl-N-[4-(pyrrolidin-1-ylmethyl)phenyl]acetamide
CID 61365999
N-(4-ethoxyphenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119670724
N-[4-(ethylsulfonylamino)phenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119711145
(2S)-N-(4-butylphenyl)pyrrolidine-2-carboxamide
CID 61156078
N-[4-(pyridin-4-ylmethyl)phenyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride
CID 119828990

Frequently Asked Questions

What is the IUPAC name of N-(4-pentylphenyl)-2-pyrrolidin-2-ylacetamide?
The IUPAC name of N-(4-pentylphenyl)-2-pyrrolidin-2-ylacetamide (CID 61363717) is N-(4-pentylphenyl)-2-pyrrolidin-2-ylacetamide.
What is the SMILES notation for N-(4-pentylphenyl)-2-pyrrolidin-2-ylacetamide?
The canonical SMILES for N-(4-pentylphenyl)-2-pyrrolidin-2-ylacetamide is CCCCCc1ccc(NC(=O)CC2CCCN2)cc1.
What is the InChIKey of N-(4-pentylphenyl)-2-pyrrolidin-2-ylacetamide?
The InChIKey is FKMXDJRBVPVEFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-2-3-4-6-14-8-10-15(11-9-14)19-17(20)13-16-7-5-12-18-16/h8-11,16,18H,2-7,12-13H2,1H3,(H,19,20).
What are the key properties of N-(4-pentylphenyl)-2-pyrrolidin-2-ylacetamide?
N-(4-pentylphenyl)-2-pyrrolidin-2-ylacetamide has a molecular weight of 274.41 g/mol, XLogP of 3.50, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-pentylphenyl)-2-pyrrolidin-2-ylacetamide is sourced from PubChem (CID 61363717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).