2-(4-methoxyphenyl)-N-[4-(3-pyrrolidin-1-ylpropyl)phenyl]acetamide

C22H28N2O2 — CID 110314406

IUPAC2-(4-methoxyphenyl)-N-[4-(3-pyrrolidin-1-ylpropyl)phenyl]acetamide
SMILESCOc1ccc(CC(=O)Nc2ccc(CCCN3CCCC3)cc2)cc1
InChIInChI=1S/C22H28N2O2/c1-26-21-12-8-19(9-13-21)17-22(25)23-20-10-6-18(7-11-20)5-4-16-24-14-2-3-15-24/h6-13H,2-5,14-17H2,1H3,(H,23,25)
InChIKeyVAIJNLHVUCBJIE-UHFFFAOYSA-N
MW352.48 g/mol
LogP3.90
Rot. Bonds8

About 2-(4-methoxyphenyl)-N-[4-(3-pyrrolidin-1-ylpropyl)phenyl]acetamide

2-(4-methoxyphenyl)-N-[4-(3-pyrrolidin-1-ylpropyl)phenyl]acetamide (PubChem CID 110314406) has the molecular formula C22H28N2O2 and a molecular weight of 352.48 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-N-[4-(3-pyrrolidin-1-ylpropyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-N-[4-(3-pyrrolidin-1-ylpropyl)phenyl]acetamide
PubChem CID110314406
Molecular FormulaC22H28N2O2
Molecular Weight352.48 g/mol
Exact Mass352.22
IUPAC Name2-(4-methoxyphenyl)-N-[4-(3-pyrrolidin-1-ylpropyl)phenyl]acetamide
SMILESCOc1ccc(CC(=O)Nc2ccc(CCCN3CCCC3)cc2)cc1
InChIInChI=1S/C22H28N2O2/c1-26-21-12-8-19(9-13-21)17-22(25)23-20-10-6-18(7-11-20)5-4-16-24-14-2-3-15-24/h6-13H,2-5,14-17H2,1H3,(H,23,25)
InChIKeyVAIJNLHVUCBJIE-UHFFFAOYSA-N
XLogP3.90
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 ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-methoxyphenyl)-4-oxo-N-[4-(3-pyrrolidin-1-ylpropyl)phenyl]butanamide
CID 110633790
1-[3-(4-methoxyphenyl)propyl]piperidine
CID 42640027
1-[6-(4-methoxyphenyl)hexyl]piperidine
CID 129295861
2-(4-methoxyphenyl)-N-(3-piperidin-1-ylpropyl)acetamide
CID 92674422
N-[4-(2-aminoethyl)phenyl]-2-(4-methoxyphenyl)acetamide
CID 28754535
N-[4-(2-chloroethyl)phenyl]-2-(4-methoxyphenyl)acetamide
CID 114299189
1-phenyl-3-[4-(3-pyrrolidin-1-ylpropyl)phenyl]urea
CID 110314409
methyl 4-(3-pyrrolidin-1-ylpropyl)benzoate
CID 10658147
N-(4-methoxyphenyl)-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 9042283
N-[4-[[2-(4-methoxyphenyl)acetyl]amino]phenyl]butanamide
CID 17202461
3-(4-methoxyphenyl)-N-[4-(piperidine-1-carbonyl)phenyl]propanamide
CID 17148804
N-[4-(2-pyrrolidin-1-ylethyl)phenyl]acetamide
CID 60575256

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-N-[4-(3-pyrrolidin-1-ylpropyl)phenyl]acetamide?
The IUPAC name of 2-(4-methoxyphenyl)-N-[4-(3-pyrrolidin-1-ylpropyl)phenyl]acetamide (CID 110314406) is 2-(4-methoxyphenyl)-N-[4-(3-pyrrolidin-1-ylpropyl)phenyl]acetamide.
What is the SMILES notation for 2-(4-methoxyphenyl)-N-[4-(3-pyrrolidin-1-ylpropyl)phenyl]acetamide?
The canonical SMILES for 2-(4-methoxyphenyl)-N-[4-(3-pyrrolidin-1-ylpropyl)phenyl]acetamide is COc1ccc(CC(=O)Nc2ccc(CCCN3CCCC3)cc2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-N-[4-(3-pyrrolidin-1-ylpropyl)phenyl]acetamide?
The InChIKey is VAIJNLHVUCBJIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O2/c1-26-21-12-8-19(9-13-21)17-22(25)23-20-10-6-18(7-11-20)5-4-16-24-14-2-3-15-24/h6-13H,2-5,14-17H2,1H3,(H,23,25).
What are the key properties of 2-(4-methoxyphenyl)-N-[4-(3-pyrrolidin-1-ylpropyl)phenyl]acetamide?
2-(4-methoxyphenyl)-N-[4-(3-pyrrolidin-1-ylpropyl)phenyl]acetamide has a molecular weight of 352.48 g/mol, XLogP of 3.90, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-N-[4-(3-pyrrolidin-1-ylpropyl)phenyl]acetamide is sourced from PubChem (CID 110314406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).