2-pyrrolidin-2-yl-N-[4-(pyrrolidin-1-ylmethyl)phenyl]acetamide

C17H25N3O — CID 61365999

IUPAC2-pyrrolidin-2-yl-N-[4-(pyrrolidin-1-ylmethyl)phenyl]acetamide
SMILESO=C(CC1CCCN1)Nc1ccc(CN2CCCC2)cc1
InChIInChI=1S/C17H25N3O/c21-17(12-16-4-3-9-18-16)19-15-7-5-14(6-8-15)13-20-10-1-2-11-20/h5-8,16,18H,1-4,9-13H2,(H,19,21)
InChIKeyOYSCZSMAWCIWFR-UHFFFAOYSA-N
MW287.41 g/mol
LogP2.36
Rot. Bonds5

About 2-pyrrolidin-2-yl-N-[4-(pyrrolidin-1-ylmethyl)phenyl]acetamide

2-pyrrolidin-2-yl-N-[4-(pyrrolidin-1-ylmethyl)phenyl]acetamide (PubChem CID 61365999) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 2-pyrrolidin-2-yl-N-[4-(pyrrolidin-1-ylmethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-pyrrolidin-2-yl-N-[4-(pyrrolidin-1-ylmethyl)phenyl]acetamide
PubChem CID61365999
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name2-pyrrolidin-2-yl-N-[4-(pyrrolidin-1-ylmethyl)phenyl]acetamide
SMILESO=C(CC1CCCN1)Nc1ccc(CN2CCCC2)cc1
InChIInChI=1S/C17H25N3O/c21-17(12-16-4-3-9-18-16)19-15-7-5-14(6-8-15)13-20-10-1-2-11-20/h5-8,16,18H,1-4,9-13H2,(H,19,21)
InChIKeyOYSCZSMAWCIWFR-UHFFFAOYSA-N
XLogP2.36
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-pyrrolidin-2-yl-N-[3-(pyrrolidin-1-ylmethyl)phenyl]acetamide
CID 61366397
2-[4-[(2-pyrrolidin-2-ylacetyl)amino]phenyl]acetic acid
CID 61366052
N-(4-chlorophenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119671239
N-(4-acetamidophenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119669050
N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]-2-pyrrolidin-2-ylacetamide
CID 119840808
2-pyrrolidin-2-yl-N-[3-(thiomorpholin-4-ylmethyl)phenyl]acetamide;dihydrochloride
CID 119869806
2-pyrrolidin-2-yl-N-[4-(3,3,3-trifluoropropyl)phenyl]acetamide
CID 119808865
N-(4-pentylphenyl)-2-pyrrolidin-2-ylacetamide
CID 61363717
N-[4-(pyridin-4-ylmethyl)phenyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride
CID 119828990
N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119719041
2-[(2R)-pyrrolidin-2-yl]-N-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]acetamide
CID 167840711
N-[4-(2-oxoimidazolidin-1-yl)phenyl]-2-pyrrolidin-2-ylacetamide
CID 61365614

Frequently Asked Questions

What is the IUPAC name of 2-pyrrolidin-2-yl-N-[4-(pyrrolidin-1-ylmethyl)phenyl]acetamide?
The IUPAC name of 2-pyrrolidin-2-yl-N-[4-(pyrrolidin-1-ylmethyl)phenyl]acetamide (CID 61365999) is 2-pyrrolidin-2-yl-N-[4-(pyrrolidin-1-ylmethyl)phenyl]acetamide.
What is the SMILES notation for 2-pyrrolidin-2-yl-N-[4-(pyrrolidin-1-ylmethyl)phenyl]acetamide?
The canonical SMILES for 2-pyrrolidin-2-yl-N-[4-(pyrrolidin-1-ylmethyl)phenyl]acetamide is O=C(CC1CCCN1)Nc1ccc(CN2CCCC2)cc1.
What is the InChIKey of 2-pyrrolidin-2-yl-N-[4-(pyrrolidin-1-ylmethyl)phenyl]acetamide?
The InChIKey is OYSCZSMAWCIWFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c21-17(12-16-4-3-9-18-16)19-15-7-5-14(6-8-15)13-20-10-1-2-11-20/h5-8,16,18H,1-4,9-13H2,(H,19,21).
What are the key properties of 2-pyrrolidin-2-yl-N-[4-(pyrrolidin-1-ylmethyl)phenyl]acetamide?
2-pyrrolidin-2-yl-N-[4-(pyrrolidin-1-ylmethyl)phenyl]acetamide has a molecular weight of 287.41 g/mol, XLogP of 2.36, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrrolidin-2-yl-N-[4-(pyrrolidin-1-ylmethyl)phenyl]acetamide is sourced from PubChem (CID 61365999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).