N-[[1-(3,4-dimethylphenyl)pyrrolidin-3-yl]methyl]cyclopentanecarboxamide

C19H28N2O — CID 110414375

IUPACN-[[1-(3,4-dimethylphenyl)pyrrolidin-3-yl]methyl]cyclopentanecarboxamide
SMILESCc1ccc(N2CCC(CNC(=O)C3CCCC3)C2)cc1C
InChIInChI=1S/C19H28N2O/c1-14-7-8-18(11-15(14)2)21-10-9-16(13-21)12-20-19(22)17-5-3-4-6-17/h7-8,11,16-17H,3-6,9-10,12-13H2,1-2H3,(H,20,22)
InChIKeyKJWXHDDSZCKOCC-UHFFFAOYSA-N
MW300.45 g/mol
LogP3.44
Rot. Bonds4

About N-[[1-(3,4-dimethylphenyl)pyrrolidin-3-yl]methyl]cyclopentanecarboxamide

N-[[1-(3,4-dimethylphenyl)pyrrolidin-3-yl]methyl]cyclopentanecarboxamide (PubChem CID 110414375) has the molecular formula C19H28N2O and a molecular weight of 300.45 g/mol. Its IUPAC name is N-[[1-(3,4-dimethylphenyl)pyrrolidin-3-yl]methyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[[1-(3,4-dimethylphenyl)pyrrolidin-3-yl]methyl]cyclopentanecarboxamide
PubChem CID110414375
Molecular FormulaC19H28N2O
Molecular Weight300.45 g/mol
Exact Mass300.22
IUPAC NameN-[[1-(3,4-dimethylphenyl)pyrrolidin-3-yl]methyl]cyclopentanecarboxamide
SMILESCc1ccc(N2CCC(CNC(=O)C3CCCC3)C2)cc1C
InChIInChI=1S/C19H28N2O/c1-14-7-8-18(11-15(14)2)21-10-9-16(13-21)12-20-19(22)17-5-3-4-6-17/h7-8,11,16-17H,3-6,9-10,12-13H2,1-2H3,(H,20,22)
InChIKeyKJWXHDDSZCKOCC-UHFFFAOYSA-N
XLogP3.44
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.45
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Analyze N-[[1-(3,4-dimethylphenyl)pyrrolidin-3-yl]methyl]cyclopentanecarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]cyclopentanecarboxamide
CID 110414259
N-[[1-(3,4-dimethylphenyl)pyrrolidin-3-yl]methyl]-3-methylbutanamide
CID 110640720
3-[[1-(3,4-dimethylphenyl)pyrrolidin-3-yl]methyl]-1,1-diethylurea
CID 110414411
N-[[1-(3,4-dimethylphenyl)pyrrolidin-3-yl]methyl]ethanesulfonamide
CID 110640732
N-[[1-(3,4-dimethylphenyl)pyrrolidin-3-yl]methyl]-2-(2-methoxyphenoxy)acetamide
CID 110414406
N-[[(3S)-1-(3,4-difluorophenyl)pyrrolidin-3-yl]methyl]-1-(2-methylpropyl)piperidine-4-carboxamide
CID 95290703
ethyl (3R)-3-[[(3R)-1-(3-bromophenyl)pyrrolidin-3-yl]methylcarbamoyl]piperidine-1-carboxylate
CID 97100239
3-amino-N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]cyclohexane-1-carboxamide
CID 119862617
N-[(1-phenylpyrrolidin-3-yl)methyl]-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 46403152
1-(3,4-dimethylphenyl)-3-[[1-(4-methoxyphenyl)pyrrolidin-3-yl]methyl]urea
CID 4226014
1-N-(3-methylphenyl)-3-N-[(1-phenylpyrrolidin-3-yl)methyl]piperidine-1,3-dicarboxamide
CID 55836349
1-benzyl-N-[[(3R)-1-(3,4-difluorophenyl)pyrrolidin-3-yl]methyl]piperidine-4-carboxamide
CID 52531612

Frequently Asked Questions

What is the IUPAC name of N-[[1-(3,4-dimethylphenyl)pyrrolidin-3-yl]methyl]cyclopentanecarboxamide?
The IUPAC name of N-[[1-(3,4-dimethylphenyl)pyrrolidin-3-yl]methyl]cyclopentanecarboxamide (CID 110414375) is N-[[1-(3,4-dimethylphenyl)pyrrolidin-3-yl]methyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[[1-(3,4-dimethylphenyl)pyrrolidin-3-yl]methyl]cyclopentanecarboxamide?
The canonical SMILES for N-[[1-(3,4-dimethylphenyl)pyrrolidin-3-yl]methyl]cyclopentanecarboxamide is Cc1ccc(N2CCC(CNC(=O)C3CCCC3)C2)cc1C.
What is the InChIKey of N-[[1-(3,4-dimethylphenyl)pyrrolidin-3-yl]methyl]cyclopentanecarboxamide?
The InChIKey is KJWXHDDSZCKOCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O/c1-14-7-8-18(11-15(14)2)21-10-9-16(13-21)12-20-19(22)17-5-3-4-6-17/h7-8,11,16-17H,3-6,9-10,12-13H2,1-2H3,(H,20,22).
What are the key properties of N-[[1-(3,4-dimethylphenyl)pyrrolidin-3-yl]methyl]cyclopentanecarboxamide?
N-[[1-(3,4-dimethylphenyl)pyrrolidin-3-yl]methyl]cyclopentanecarboxamide has a molecular weight of 300.45 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3,4-dimethylphenyl)pyrrolidin-3-yl]methyl]cyclopentanecarboxamide is sourced from PubChem (CID 110414375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).