2-[ethyl(methyl)amino]-N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-phenylacetamide;dihydrochloride

C16H27Cl2N3O2 — CID 120943741

IUPAC2-[ethyl(methyl)amino]-N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-phenylacetamide;dihydrochloride
SMILESCCN(C)C(C(=O)NCC1CNCC1O)c1ccccc1.Cl.Cl
InChIInChI=1S/C16H25N3O2.2ClH/c1-3-19(2)15(12-7-5-4-6-8-12)16(21)18-10-13-9-17-11-14(13)20;;/h4-8,13-15,17,20H,3,9-11H2,1-2H3,(H,18,21);2*1H
InChIKeyYZNOUSRISIDVHN-UHFFFAOYSA-N
MW364.32 g/mol
LogP1.22
Rot. Bonds6

About 2-[ethyl(methyl)amino]-N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-phenylacetamide;dihydrochloride

2-[ethyl(methyl)amino]-N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-phenylacetamide;dihydrochloride (PubChem CID 120943741) has the molecular formula C16H27Cl2N3O2 and a molecular weight of 364.32 g/mol. Its IUPAC name is 2-[ethyl(methyl)amino]-N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-phenylacetamide;dihydrochloride.

Molecular Properties

Compound Name2-[ethyl(methyl)amino]-N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-phenylacetamide;dihydrochloride
PubChem CID120943741
Molecular FormulaC16H27Cl2N3O2
Molecular Weight364.32 g/mol
Exact Mass363.15
IUPAC Name2-[ethyl(methyl)amino]-N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-phenylacetamide;dihydrochloride
SMILESCCN(C)C(C(=O)NCC1CNCC1O)c1ccccc1.Cl.Cl
InChIInChI=1S/C16H25N3O2.2ClH/c1-3-19(2)15(12-7-5-4-6-8-12)16(21)18-10-13-9-17-11-14(13)20;;/h4-8,13-15,17,20H,3,9-11H2,1-2H3,(H,18,21);2*1H
InChIKeyYZNOUSRISIDVHN-UHFFFAOYSA-N
XLogP1.22
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.32
LogP ≤ 51.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-methyl-2-phenylbutanamide
CID 120948957
2-[ethyl(methyl)amino]-2-phenyl-N-(pyrrolidin-2-ylmethyl)acetamide
CID 119513409
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-phenoxypropanamide
CID 120948053
N-[(2R)-2-(ethylamino)propyl]-2-[ethyl(methyl)amino]-2-phenylacetamide;dihydrochloride
CID 120654368
N-(2-aminoethyl)-2-[ethyl(methyl)amino]-2-phenylacetamide
CID 119384601
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-phenylacetamide;hydrochloride
CID 120945888
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-phenylsulfanylbutanamide
CID 120947547
2-(2-chlorophenoxy)-N-[(4-hydroxypyrrolidin-3-yl)methyl]propanamide;hydrochloride
CID 120944491
3-acetamido-N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-phenylpropanamide;hydrochloride
CID 120943111
2-(2,4-dimethylphenyl)sulfanyl-N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-phenylacetamide;hydrochloride
CID 120949038
2-(4-benzylpiperidin-1-yl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]propanamide
CID 120949029
(2R)-2-[ethyl(methyl)amino]-2-phenyl-N-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methyl]acetamide
CID 124811415

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(methyl)amino]-N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-phenylacetamide;dihydrochloride?
The IUPAC name of 2-[ethyl(methyl)amino]-N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-phenylacetamide;dihydrochloride (CID 120943741) is 2-[ethyl(methyl)amino]-N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-phenylacetamide;dihydrochloride.
What is the SMILES notation for 2-[ethyl(methyl)amino]-N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-phenylacetamide;dihydrochloride?
The canonical SMILES for 2-[ethyl(methyl)amino]-N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-phenylacetamide;dihydrochloride is CCN(C)C(C(=O)NCC1CNCC1O)c1ccccc1.Cl.Cl.
What is the InChIKey of 2-[ethyl(methyl)amino]-N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-phenylacetamide;dihydrochloride?
The InChIKey is YZNOUSRISIDVHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2.2ClH/c1-3-19(2)15(12-7-5-4-6-8-12)16(21)18-10-13-9-17-11-14(13)20;;/h4-8,13-15,17,20H,3,9-11H2,1-2H3,(H,18,21);2*1H.
What are the key properties of 2-[ethyl(methyl)amino]-N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-phenylacetamide;dihydrochloride?
2-[ethyl(methyl)amino]-N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-phenylacetamide;dihydrochloride has a molecular weight of 364.32 g/mol, XLogP of 1.22, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(methyl)amino]-N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-phenylacetamide;dihydrochloride is sourced from PubChem (CID 120943741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).