N-[4-(3-methoxyphenyl)phenyl]-5-pyrrolidin-1-ylpentanamide

C22H28N2O2 — CID 59840445

IUPACN-[4-(3-methoxyphenyl)phenyl]-5-pyrrolidin-1-ylpentanamide
SMILESCOc1cccc(-c2ccc(NC(=O)CCCCN3CCCC3)cc2)c1
InChIInChI=1S/C22H28N2O2/c1-26-21-8-6-7-19(17-21)18-10-12-20(13-11-18)23-22(25)9-2-3-14-24-15-4-5-16-24/h6-8,10-13,17H,2-5,9,14-16H2,1H3,(H,23,25)
InChIKeyQSHDMFMGVNETSB-UHFFFAOYSA-N
MW352.48 g/mol
LogP4.57
Rot. Bonds8

About N-[4-(3-methoxyphenyl)phenyl]-5-pyrrolidin-1-ylpentanamide

N-[4-(3-methoxyphenyl)phenyl]-5-pyrrolidin-1-ylpentanamide (PubChem CID 59840445) has the molecular formula C22H28N2O2 and a molecular weight of 352.48 g/mol. Its IUPAC name is N-[4-(3-methoxyphenyl)phenyl]-5-pyrrolidin-1-ylpentanamide.

Molecular Properties

Compound NameN-[4-(3-methoxyphenyl)phenyl]-5-pyrrolidin-1-ylpentanamide
PubChem CID59840445
Molecular FormulaC22H28N2O2
Molecular Weight352.48 g/mol
Exact Mass352.22
IUPAC NameN-[4-(3-methoxyphenyl)phenyl]-5-pyrrolidin-1-ylpentanamide
SMILESCOc1cccc(-c2ccc(NC(=O)CCCCN3CCCC3)cc2)c1
InChIInChI=1S/C22H28N2O2/c1-26-21-8-6-7-19(17-21)18-10-12-20(13-11-18)23-22(25)9-2-3-14-24-15-4-5-16-24/h6-8,10-13,17H,2-5,9,14-16H2,1H3,(H,23,25)
InChIKeyQSHDMFMGVNETSB-UHFFFAOYSA-N
XLogP4.57
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(4-acetyl-1,4-diazepan-1-yl)-N-[4-(3-methoxyphenyl)phenyl]pentanamide
CID 59840403
1-[4-(3-methoxyphenyl)phenyl]-3-(3-piperidin-1-ylpropyl)urea
CID 143531596
4-(azepan-1-yl)-N-[5-(3-methoxyphenyl)-1H-pyrazol-3-yl]butanamide
CID 25029479
N-[4-(3-acetamidophenyl)phenyl]-5-(4-acetyl-1,4-diazepan-1-yl)pentanamide
CID 59840247
5-(4-methylpiperazin-1-yl)-N-(4-phenylphenyl)pentanamide
CID 118735725
5-piperidin-1-yl-N-(4-thiophen-2-ylphenyl)pentanamide
CID 59840354
2-(3-methoxyphenyl)-N-[4-[(2-piperidin-1-ylacetyl)amino]phenyl]acetamide
CID 131909721
2-(azocan-1-yl)-N-(3-methoxyphenyl)acetamide
CID 8583685
1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-N-[4-(3-methoxyphenyl)phenyl]piperidine-3-carboxamide
CID 24794194
methyl 3-[[4-(3-methoxyphenyl)phenyl]carbamoyl]piperidine-1-carboxylate
CID 72901973
5-(azepan-1-yl)-N-(4-propan-2-ylphenyl)pentanamide
CID 59840298
N-[5-(3-methoxyphenyl)-1H-pyrazol-3-yl]-4-morpholin-4-ylbutanamide
CID 25029480

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-methoxyphenyl)phenyl]-5-pyrrolidin-1-ylpentanamide?
The IUPAC name of N-[4-(3-methoxyphenyl)phenyl]-5-pyrrolidin-1-ylpentanamide (CID 59840445) is N-[4-(3-methoxyphenyl)phenyl]-5-pyrrolidin-1-ylpentanamide.
What is the SMILES notation for N-[4-(3-methoxyphenyl)phenyl]-5-pyrrolidin-1-ylpentanamide?
The canonical SMILES for N-[4-(3-methoxyphenyl)phenyl]-5-pyrrolidin-1-ylpentanamide is COc1cccc(-c2ccc(NC(=O)CCCCN3CCCC3)cc2)c1.
What is the InChIKey of N-[4-(3-methoxyphenyl)phenyl]-5-pyrrolidin-1-ylpentanamide?
The InChIKey is QSHDMFMGVNETSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O2/c1-26-21-8-6-7-19(17-21)18-10-12-20(13-11-18)23-22(25)9-2-3-14-24-15-4-5-16-24/h6-8,10-13,17H,2-5,9,14-16H2,1H3,(H,23,25).
What are the key properties of N-[4-(3-methoxyphenyl)phenyl]-5-pyrrolidin-1-ylpentanamide?
N-[4-(3-methoxyphenyl)phenyl]-5-pyrrolidin-1-ylpentanamide has a molecular weight of 352.48 g/mol, XLogP of 4.57, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-methoxyphenyl)phenyl]-5-pyrrolidin-1-ylpentanamide is sourced from PubChem (CID 59840445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).