N-(2-phenyl-2-pyrrolidin-1-ylethyl)-2-pyrrolidin-2-ylacetamide;dihydrochloride

C18H29Cl2N3O — CID 119831446

IUPACN-(2-phenyl-2-pyrrolidin-1-ylethyl)-2-pyrrolidin-2-ylacetamide;dihydrochloride
SMILESCl.Cl.O=C(CC1CCCN1)NCC(c1ccccc1)N1CCCC1
InChIInChI=1S/C18H27N3O.2ClH/c22-18(13-16-9-6-10-19-16)20-14-17(21-11-4-5-12-21)15-7-2-1-3-8-15;;/h1-3,7-8,16-17,19H,4-6,9-14H2,(H,20,22);2*1H
InChIKeyPJHJRQCQSLEZGC-UHFFFAOYSA-N
MW374.36 g/mol
LogP2.93
Rot. Bonds6

About N-(2-phenyl-2-pyrrolidin-1-ylethyl)-2-pyrrolidin-2-ylacetamide;dihydrochloride

N-(2-phenyl-2-pyrrolidin-1-ylethyl)-2-pyrrolidin-2-ylacetamide;dihydrochloride (PubChem CID 119831446) has the molecular formula C18H29Cl2N3O and a molecular weight of 374.36 g/mol. Its IUPAC name is N-(2-phenyl-2-pyrrolidin-1-ylethyl)-2-pyrrolidin-2-ylacetamide;dihydrochloride.

Molecular Properties

Compound NameN-(2-phenyl-2-pyrrolidin-1-ylethyl)-2-pyrrolidin-2-ylacetamide;dihydrochloride
PubChem CID119831446
Molecular FormulaC18H29Cl2N3O
Molecular Weight374.36 g/mol
Exact Mass373.17
IUPAC NameN-(2-phenyl-2-pyrrolidin-1-ylethyl)-2-pyrrolidin-2-ylacetamide;dihydrochloride
SMILESCl.Cl.O=C(CC1CCCN1)NCC(c1ccccc1)N1CCCC1
InChIInChI=1S/C18H27N3O.2ClH/c22-18(13-16-9-6-10-19-16)20-14-17(21-11-4-5-12-21)15-7-2-1-3-8-15;;/h1-3,7-8,16-17,19H,4-6,9-14H2,(H,20,22);2*1H
InChIKeyPJHJRQCQSLEZGC-UHFFFAOYSA-N
XLogP2.93
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.36
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-pyrrolidin-2-yl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)acetamide;dihydrochloride
CID 119831525
N-[2-(dimethylamino)-2-phenylethyl]-2-pyrrolidin-2-ylacetamide
CID 61365271
2-phenyl-N-(piperidin-2-ylmethyl)-2-pyrrolidin-1-ylethanamine
CID 106632941
N-(2,3-diphenylpropyl)-2-pyrrolidin-2-ylacetamide
CID 119803974
N-[2-(4-phenylpiperazin-1-yl)propyl]-2-pyrrolidin-2-ylacetamide
CID 119902110
N-[2-(4-chlorophenyl)-2-(2,2-dimethylmorpholin-4-yl)ethyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride
CID 119876545
N-(2-phenoxypropyl)-2-pyrrolidin-2-ylacetamide
CID 119734660
N-[[2-(azepan-1-ylmethyl)phenyl]methyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride
CID 119869680
N-[(1R)-2-hydroxy-1-phenylethyl]-2-pyrrolidin-2-ylacetamide
CID 114010293
N-(2-phenyl-2-pyrrolidin-1-ylethyl)-2-(propan-2-ylamino)acetamide
CID 61249970
2-amino-2-phenyl-N-(2-phenyl-2-pyrrolidin-1-ylethyl)acetamide
CID 119831373
methyl 2-phenyl-2-[(2-pyrrolidin-2-ylacetyl)amino]acetate;hydrochloride
CID 119707961

Frequently Asked Questions

What is the IUPAC name of N-(2-phenyl-2-pyrrolidin-1-ylethyl)-2-pyrrolidin-2-ylacetamide;dihydrochloride?
The IUPAC name of N-(2-phenyl-2-pyrrolidin-1-ylethyl)-2-pyrrolidin-2-ylacetamide;dihydrochloride (CID 119831446) is N-(2-phenyl-2-pyrrolidin-1-ylethyl)-2-pyrrolidin-2-ylacetamide;dihydrochloride.
What is the SMILES notation for N-(2-phenyl-2-pyrrolidin-1-ylethyl)-2-pyrrolidin-2-ylacetamide;dihydrochloride?
The canonical SMILES for N-(2-phenyl-2-pyrrolidin-1-ylethyl)-2-pyrrolidin-2-ylacetamide;dihydrochloride is Cl.Cl.O=C(CC1CCCN1)NCC(c1ccccc1)N1CCCC1.
What is the InChIKey of N-(2-phenyl-2-pyrrolidin-1-ylethyl)-2-pyrrolidin-2-ylacetamide;dihydrochloride?
The InChIKey is PJHJRQCQSLEZGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O.2ClH/c22-18(13-16-9-6-10-19-16)20-14-17(21-11-4-5-12-21)15-7-2-1-3-8-15;;/h1-3,7-8,16-17,19H,4-6,9-14H2,(H,20,22);2*1H.
What are the key properties of N-(2-phenyl-2-pyrrolidin-1-ylethyl)-2-pyrrolidin-2-ylacetamide;dihydrochloride?
N-(2-phenyl-2-pyrrolidin-1-ylethyl)-2-pyrrolidin-2-ylacetamide;dihydrochloride has a molecular weight of 374.36 g/mol, XLogP of 2.93, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenyl-2-pyrrolidin-1-ylethyl)-2-pyrrolidin-2-ylacetamide;dihydrochloride is sourced from PubChem (CID 119831446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).