2-pyrrolidin-2-yl-N-[3-(pyrrolidin-1-ylmethyl)phenyl]acetamide

C17H25N3O — CID 61366397

IUPAC2-pyrrolidin-2-yl-N-[3-(pyrrolidin-1-ylmethyl)phenyl]acetamide
SMILESO=C(CC1CCCN1)Nc1cccc(CN2CCCC2)c1
InChIInChI=1S/C17H25N3O/c21-17(12-15-7-4-8-18-15)19-16-6-3-5-14(11-16)13-20-9-1-2-10-20/h3,5-6,11,15,18H,1-2,4,7-10,12-13H2,(H,19,21)
InChIKeyYSIGMUNCIVDCTD-UHFFFAOYSA-N
MW287.41 g/mol
LogP2.36
Rot. Bonds5

About 2-pyrrolidin-2-yl-N-[3-(pyrrolidin-1-ylmethyl)phenyl]acetamide

2-pyrrolidin-2-yl-N-[3-(pyrrolidin-1-ylmethyl)phenyl]acetamide (PubChem CID 61366397) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 2-pyrrolidin-2-yl-N-[3-(pyrrolidin-1-ylmethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-pyrrolidin-2-yl-N-[3-(pyrrolidin-1-ylmethyl)phenyl]acetamide
PubChem CID61366397
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name2-pyrrolidin-2-yl-N-[3-(pyrrolidin-1-ylmethyl)phenyl]acetamide
SMILESO=C(CC1CCCN1)Nc1cccc(CN2CCCC2)c1
InChIInChI=1S/C17H25N3O/c21-17(12-15-7-4-8-18-15)19-16-6-3-5-14(11-16)13-20-9-1-2-10-20/h3,5-6,11,15,18H,1-2,4,7-10,12-13H2,(H,19,21)
InChIKeyYSIGMUNCIVDCTD-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-(thiomorpholin-4-ylmethyl)phenyl]acetamide;dihydrochloride
CID 119869806
2-pyrrolidin-2-yl-N-[4-(pyrrolidin-1-ylmethyl)phenyl]acetamide
CID 61365999
2-pyrrolidin-2-yl-N-(3-pyrrolidin-1-ylphenyl)acetamide
CID 61365428
N-[3-(carbamoylamino)phenyl]-2-pyrrolidin-2-ylacetamide
CID 61364636
N-(3-fluorophenyl)-2-pyrrolidin-2-ylacetamide
CID 61371784
2-pyrrolidin-2-yl-N-[3-(3,3,3-trifluoropropyl)phenyl]acetamide;hydrochloride
CID 119819406
N-(3-methylphenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119670441
N-[3-(cyclohexylsulfonylmethyl)phenyl]-2-pyrrolidin-2-ylacetamide
CID 119784568
N-[3-(tert-butylsulfonylmethyl)phenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119784319
N-(3-acetamidophenyl)-2-piperidin-2-ylacetamide
CID 43151365
N-(3-propan-2-ylphenyl)-2-pyrrolidin-2-ylacetamide
CID 61372360
2-methyl-N-[3-[(2-pyrrolidin-2-ylacetyl)amino]phenyl]propanamide
CID 61366011

Frequently Asked Questions

What is the IUPAC name of 2-pyrrolidin-2-yl-N-[3-(pyrrolidin-1-ylmethyl)phenyl]acetamide?
The IUPAC name of 2-pyrrolidin-2-yl-N-[3-(pyrrolidin-1-ylmethyl)phenyl]acetamide (CID 61366397) is 2-pyrrolidin-2-yl-N-[3-(pyrrolidin-1-ylmethyl)phenyl]acetamide.
What is the SMILES notation for 2-pyrrolidin-2-yl-N-[3-(pyrrolidin-1-ylmethyl)phenyl]acetamide?
The canonical SMILES for 2-pyrrolidin-2-yl-N-[3-(pyrrolidin-1-ylmethyl)phenyl]acetamide is O=C(CC1CCCN1)Nc1cccc(CN2CCCC2)c1.
What is the InChIKey of 2-pyrrolidin-2-yl-N-[3-(pyrrolidin-1-ylmethyl)phenyl]acetamide?
The InChIKey is YSIGMUNCIVDCTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c21-17(12-15-7-4-8-18-15)19-16-6-3-5-14(11-16)13-20-9-1-2-10-20/h3,5-6,11,15,18H,1-2,4,7-10,12-13H2,(H,19,21).
What are the key properties of 2-pyrrolidin-2-yl-N-[3-(pyrrolidin-1-ylmethyl)phenyl]acetamide?
2-pyrrolidin-2-yl-N-[3-(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-[3-(pyrrolidin-1-ylmethyl)phenyl]acetamide is sourced from PubChem (CID 61366397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).