N-[[1-(3-methylphenyl)cyclopentyl]methyl]-2-pyrrolidin-2-ylacetamide

C19H28N2O — CID 119770594

IUPACN-[[1-(3-methylphenyl)cyclopentyl]methyl]-2-pyrrolidin-2-ylacetamide
SMILESCc1cccc(C2(CNC(=O)CC3CCCN3)CCCC2)c1
InChIInChI=1S/C19H28N2O/c1-15-6-4-7-16(12-15)19(9-2-3-10-19)14-21-18(22)13-17-8-5-11-20-17/h4,6-7,12,17,20H,2-3,5,8-11,13-14H2,1H3,(H,21,22)
InChIKeySDBSEONCXSYZAW-UHFFFAOYSA-N
MW300.45 g/mol
LogP3.07
Rot. Bonds5

About N-[[1-(3-methylphenyl)cyclopentyl]methyl]-2-pyrrolidin-2-ylacetamide

N-[[1-(3-methylphenyl)cyclopentyl]methyl]-2-pyrrolidin-2-ylacetamide (PubChem CID 119770594) has the molecular formula C19H28N2O and a molecular weight of 300.45 g/mol. Its IUPAC name is N-[[1-(3-methylphenyl)cyclopentyl]methyl]-2-pyrrolidin-2-ylacetamide.

Molecular Properties

Compound NameN-[[1-(3-methylphenyl)cyclopentyl]methyl]-2-pyrrolidin-2-ylacetamide
PubChem CID119770594
Molecular FormulaC19H28N2O
Molecular Weight300.45 g/mol
Exact Mass300.22
IUPAC NameN-[[1-(3-methylphenyl)cyclopentyl]methyl]-2-pyrrolidin-2-ylacetamide
SMILESCc1cccc(C2(CNC(=O)CC3CCCN3)CCCC2)c1
InChIInChI=1S/C19H28N2O/c1-15-6-4-7-16(12-15)19(9-2-3-10-19)14-21-18(22)13-17-8-5-11-20-17/h4,6-7,12,17,20H,2-3,5,8-11,13-14H2,1H3,(H,21,22)
InChIKeySDBSEONCXSYZAW-UHFFFAOYSA-N
XLogP3.07
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.45
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(3-methylphenyl)cyclopentyl]methyl]-2-pyrrolidin-2-ylacetamide?
The IUPAC name of N-[[1-(3-methylphenyl)cyclopentyl]methyl]-2-pyrrolidin-2-ylacetamide (CID 119770594) is N-[[1-(3-methylphenyl)cyclopentyl]methyl]-2-pyrrolidin-2-ylacetamide.
What is the SMILES notation for N-[[1-(3-methylphenyl)cyclopentyl]methyl]-2-pyrrolidin-2-ylacetamide?
The canonical SMILES for N-[[1-(3-methylphenyl)cyclopentyl]methyl]-2-pyrrolidin-2-ylacetamide is Cc1cccc(C2(CNC(=O)CC3CCCN3)CCCC2)c1.
What is the InChIKey of N-[[1-(3-methylphenyl)cyclopentyl]methyl]-2-pyrrolidin-2-ylacetamide?
The InChIKey is SDBSEONCXSYZAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O/c1-15-6-4-7-16(12-15)19(9-2-3-10-19)14-21-18(22)13-17-8-5-11-20-17/h4,6-7,12,17,20H,2-3,5,8-11,13-14H2,1H3,(H,21,22).
What are the key properties of N-[[1-(3-methylphenyl)cyclopentyl]methyl]-2-pyrrolidin-2-ylacetamide?
N-[[1-(3-methylphenyl)cyclopentyl]methyl]-2-pyrrolidin-2-ylacetamide has a molecular weight of 300.45 g/mol, XLogP of 3.07, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3-methylphenyl)cyclopentyl]methyl]-2-pyrrolidin-2-ylacetamide is sourced from PubChem (CID 119770594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).