N-[[4-(dimethylamino)phenyl]methyl]-N-ethyl-2-pyrrolidin-2-ylacetamide

C17H27N3O — CID 61365242

IUPACN-[[4-(dimethylamino)phenyl]methyl]-N-ethyl-2-pyrrolidin-2-ylacetamide
SMILESCCN(Cc1ccc(N(C)C)cc1)C(=O)CC1CCCN1
InChIInChI=1S/C17H27N3O/c1-4-20(17(21)12-15-6-5-11-18-15)13-14-7-9-16(10-8-14)19(2)3/h7-10,15,18H,4-6,11-13H2,1-3H3
InChIKeyFAEPDANGDIGWKO-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.24
Rot. Bonds6

About N-[[4-(dimethylamino)phenyl]methyl]-N-ethyl-2-pyrrolidin-2-ylacetamide

N-[[4-(dimethylamino)phenyl]methyl]-N-ethyl-2-pyrrolidin-2-ylacetamide (PubChem CID 61365242) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is N-[[4-(dimethylamino)phenyl]methyl]-N-ethyl-2-pyrrolidin-2-ylacetamide.

Molecular Properties

Compound NameN-[[4-(dimethylamino)phenyl]methyl]-N-ethyl-2-pyrrolidin-2-ylacetamide
PubChem CID61365242
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC NameN-[[4-(dimethylamino)phenyl]methyl]-N-ethyl-2-pyrrolidin-2-ylacetamide
SMILESCCN(Cc1ccc(N(C)C)cc1)C(=O)CC1CCCN1
InChIInChI=1S/C17H27N3O/c1-4-20(17(21)12-15-6-5-11-18-15)13-14-7-9-16(10-8-14)19(2)3/h7-10,15,18H,4-6,11-13H2,1-3H3
InChIKeyFAEPDANGDIGWKO-UHFFFAOYSA-N
XLogP2.24
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N-[(4-methylphenyl)methyl]-N-propyl-2-pyrrolidin-2-ylacetamide
CID 61365434
N-[(3,4-dichlorophenyl)methyl]-N-ethyl-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119743612
N-[(4-ethylphenyl)methyl]-N-methyl-2-pyrrolidin-2-ylacetamide
CID 61370210
N-[(2,6-difluorophenyl)methyl]-N-ethyl-2-pyrrolidin-2-ylacetamide
CID 119767629
N-(2-amino-2-oxoethyl)-N-[(4-bromophenyl)methyl]-2-pyrrolidin-2-ylacetamide
CID 61364086
methyl 2-[benzyl-(2-pyrrolidin-2-ylacetyl)amino]acetate
CID 61366041
N-[[4-(dimethylamino)phenyl]methyl]-N-ethylpiperidine-4-carboxamide
CID 60939526
N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-2-pyrrolidin-2-ylacetamide
CID 119680698
N-benzyl-N-(4-methoxybutyl)-2-pyrrolidin-2-ylacetamide
CID 119752528
3-(cyclopropylamino)-N-[[4-(dimethylamino)phenyl]methyl]-N-ethylpropanamide
CID 60938684
N-methyl-N-(pyridin-4-ylmethyl)-2-pyrrolidin-2-ylacetamide
CID 61372383
N-(cyclobutylmethyl)-N-ethyl-2-pyrrolidin-2-ylacetamide
CID 107398386

Frequently Asked Questions

What is the IUPAC name of N-[[4-(dimethylamino)phenyl]methyl]-N-ethyl-2-pyrrolidin-2-ylacetamide?
The IUPAC name of N-[[4-(dimethylamino)phenyl]methyl]-N-ethyl-2-pyrrolidin-2-ylacetamide (CID 61365242) is N-[[4-(dimethylamino)phenyl]methyl]-N-ethyl-2-pyrrolidin-2-ylacetamide.
What is the SMILES notation for N-[[4-(dimethylamino)phenyl]methyl]-N-ethyl-2-pyrrolidin-2-ylacetamide?
The canonical SMILES for N-[[4-(dimethylamino)phenyl]methyl]-N-ethyl-2-pyrrolidin-2-ylacetamide is CCN(Cc1ccc(N(C)C)cc1)C(=O)CC1CCCN1.
What is the InChIKey of N-[[4-(dimethylamino)phenyl]methyl]-N-ethyl-2-pyrrolidin-2-ylacetamide?
The InChIKey is FAEPDANGDIGWKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-4-20(17(21)12-15-6-5-11-18-15)13-14-7-9-16(10-8-14)19(2)3/h7-10,15,18H,4-6,11-13H2,1-3H3.
What are the key properties of N-[[4-(dimethylamino)phenyl]methyl]-N-ethyl-2-pyrrolidin-2-ylacetamide?
N-[[4-(dimethylamino)phenyl]methyl]-N-ethyl-2-pyrrolidin-2-ylacetamide has a molecular weight of 289.42 g/mol, XLogP of 2.24, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(dimethylamino)phenyl]methyl]-N-ethyl-2-pyrrolidin-2-ylacetamide is sourced from PubChem (CID 61365242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).