2-(diethylamino)-N-methyl-2-phenyl-N-pyrrolidin-3-ylacetamide;dihydrochloride

C17H29Cl2N3O — CID 119551607

IUPAC2-(diethylamino)-N-methyl-2-phenyl-N-pyrrolidin-3-ylacetamide;dihydrochloride
SMILESCCN(CC)C(C(=O)N(C)C1CCNC1)c1ccccc1.Cl.Cl
InChIInChI=1S/C17H27N3O.2ClH/c1-4-20(5-2)16(14-9-7-6-8-10-14)17(21)19(3)15-11-12-18-13-15;;/h6-10,15-16,18H,4-5,11-13H2,1-3H3;2*1H
InChIKeyISEYDAHFKVYXEI-UHFFFAOYSA-N
MW362.35 g/mol
LogP2.73
Rot. Bonds6

About 2-(diethylamino)-N-methyl-2-phenyl-N-pyrrolidin-3-ylacetamide;dihydrochloride

2-(diethylamino)-N-methyl-2-phenyl-N-pyrrolidin-3-ylacetamide;dihydrochloride (PubChem CID 119551607) has the molecular formula C17H29Cl2N3O and a molecular weight of 362.35 g/mol. Its IUPAC name is 2-(diethylamino)-N-methyl-2-phenyl-N-pyrrolidin-3-ylacetamide;dihydrochloride.

Molecular Properties

Compound Name2-(diethylamino)-N-methyl-2-phenyl-N-pyrrolidin-3-ylacetamide;dihydrochloride
PubChem CID119551607
Molecular FormulaC17H29Cl2N3O
Molecular Weight362.35 g/mol
Exact Mass361.17
IUPAC Name2-(diethylamino)-N-methyl-2-phenyl-N-pyrrolidin-3-ylacetamide;dihydrochloride
SMILESCCN(CC)C(C(=O)N(C)C1CCNC1)c1ccccc1.Cl.Cl
InChIInChI=1S/C17H27N3O.2ClH/c1-4-20(5-2)16(14-9-7-6-8-10-14)17(21)19(3)15-11-12-18-13-15;;/h6-10,15-16,18H,4-5,11-13H2,1-3H3;2*1H
InChIKeyISEYDAHFKVYXEI-UHFFFAOYSA-N
XLogP2.73
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.35
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-hydroxy-N-methyl-2-phenyl-N-pyrrolidin-3-ylacetamide
CID 55172570
3-amino-N,2-dimethyl-3-phenyl-N-pyrrolidin-3-ylpropanamide
CID 122080526
2-(2-fluorophenyl)sulfanyl-N-methyl-2-phenyl-N-pyrrolidin-3-ylacetamide;hydrochloride
CID 119552845
methyl 2-[methyl(pyrrolidin-3-yl)amino]-2-phenylacetate
CID 175212837
2-(3,4-difluorophenoxy)-N-methyl-2-phenyl-N-pyrrolidin-3-ylacetamide;hydrochloride
CID 119551631
N,3-dimethyl-2-phenyl-N-piperidin-4-ylpentanamide
CID 43602183
2-phenyl-N-propyl-N-pyrrolidin-3-ylbutanamide;hydrochloride
CID 120607586
N-methyl-N-pyrrolidin-3-yl-2-thiophen-2-ylpropanamide
CID 119551706
N-benzhydryl-N-ethylpyrrolidin-3-amine
CID 63299768
N-methyl-2-(4-phenylphenoxy)-N-pyrrolidin-3-ylpropanamide;hydrochloride
CID 119554555
4-(2-fluorophenyl)-N,2-dimethyl-N-pyrrolidin-3-ylbutanamide;hydrochloride
CID 119550997
N-methyl-2-[(2-phenylacetyl)amino]-N-pyrrolidin-3-ylpentanamide
CID 119550888

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-N-methyl-2-phenyl-N-pyrrolidin-3-ylacetamide;dihydrochloride?
The IUPAC name of 2-(diethylamino)-N-methyl-2-phenyl-N-pyrrolidin-3-ylacetamide;dihydrochloride (CID 119551607) is 2-(diethylamino)-N-methyl-2-phenyl-N-pyrrolidin-3-ylacetamide;dihydrochloride.
What is the SMILES notation for 2-(diethylamino)-N-methyl-2-phenyl-N-pyrrolidin-3-ylacetamide;dihydrochloride?
The canonical SMILES for 2-(diethylamino)-N-methyl-2-phenyl-N-pyrrolidin-3-ylacetamide;dihydrochloride is CCN(CC)C(C(=O)N(C)C1CCNC1)c1ccccc1.Cl.Cl.
What is the InChIKey of 2-(diethylamino)-N-methyl-2-phenyl-N-pyrrolidin-3-ylacetamide;dihydrochloride?
The InChIKey is ISEYDAHFKVYXEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O.2ClH/c1-4-20(5-2)16(14-9-7-6-8-10-14)17(21)19(3)15-11-12-18-13-15;;/h6-10,15-16,18H,4-5,11-13H2,1-3H3;2*1H.
What are the key properties of 2-(diethylamino)-N-methyl-2-phenyl-N-pyrrolidin-3-ylacetamide;dihydrochloride?
2-(diethylamino)-N-methyl-2-phenyl-N-pyrrolidin-3-ylacetamide;dihydrochloride has a molecular weight of 362.35 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-N-methyl-2-phenyl-N-pyrrolidin-3-ylacetamide;dihydrochloride is sourced from PubChem (CID 119551607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).