N-[3-methyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride

C19H31Cl2N3O2 — CID 119889613

IUPACN-[3-methyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride
SMILESCc1cc(NC(=O)CC2CCCN2)ccc1OCCN1CCCC1.Cl.Cl
InChIInChI=1S/C19H29N3O2.2ClH/c1-15-13-17(21-19(23)14-16-5-4-8-20-16)6-7-18(15)24-12-11-22-9-2-3-10-22;;/h6-7,13,16,20H,2-5,8-12,14H2,1H3,(H,21,23);2*1H
InChIKeyLQNFEVDDVSNVLL-UHFFFAOYSA-N
MW404.38 g/mol
LogP3.39
Rot. Bonds7

About N-[3-methyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride

N-[3-methyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride (PubChem CID 119889613) has the molecular formula C19H31Cl2N3O2 and a molecular weight of 404.38 g/mol. Its IUPAC name is N-[3-methyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride.

Molecular Properties

Compound NameN-[3-methyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride
PubChem CID119889613
Molecular FormulaC19H31Cl2N3O2
Molecular Weight404.38 g/mol
Exact Mass403.18
IUPAC NameN-[3-methyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride
SMILESCc1cc(NC(=O)CC2CCCN2)ccc1OCCN1CCCC1.Cl.Cl
InChIInChI=1S/C19H29N3O2.2ClH/c1-15-13-17(21-19(23)14-16-5-4-8-20-16)6-7-18(15)24-12-11-22-9-2-3-10-22;;/h6-7,13,16,20H,2-5,8-12,14H2,1H3,(H,21,23);2*1H
InChIKeyLQNFEVDDVSNVLL-UHFFFAOYSA-N
XLogP3.39
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.38
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-methyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride
CID 119942278
N-[3-methyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrrolidine-3-carboxamide;dihydrochloride
CID 119889619
N-(3,4-dimethylphenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119670651
4-amino-N-[3-methyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]butanamide;dihydrochloride
CID 119889617
N-[3-methyl-4-(oxan-4-yloxy)phenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119792152
(2R,3S)-2-methyl-N-[3-methyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]morpholine-3-carboxamide;dihydrochloride
CID 120942024
N-[3-(4-chloro-2-methylphenoxy)propyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119748101
1-amino-N-[3-methyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119889581
N-[3-(difluoromethoxy)-4-methylphenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119786758
2-pyrrolidin-2-yl-N-[4-(pyrrolidin-1-ylmethyl)phenyl]acetamide
CID 61365999
N-(3,4-dimethoxyphenyl)-2-piperidin-2-ylacetamide
CID 43151267
N-(4-acetamidophenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119669050

Frequently Asked Questions

What is the IUPAC name of N-[3-methyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride?
The IUPAC name of N-[3-methyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride (CID 119889613) is N-[3-methyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride.
What is the SMILES notation for N-[3-methyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride?
The canonical SMILES for N-[3-methyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride is Cc1cc(NC(=O)CC2CCCN2)ccc1OCCN1CCCC1.Cl.Cl.
What is the InChIKey of N-[3-methyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride?
The InChIKey is LQNFEVDDVSNVLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2.2ClH/c1-15-13-17(21-19(23)14-16-5-4-8-20-16)6-7-18(15)24-12-11-22-9-2-3-10-22;;/h6-7,13,16,20H,2-5,8-12,14H2,1H3,(H,21,23);2*1H.
What are the key properties of N-[3-methyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride?
N-[3-methyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride has a molecular weight of 404.38 g/mol, XLogP of 3.39, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride is sourced from PubChem (CID 119889613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).