N-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]-2-morpholin-4-ylacetamide;dihydrochloride

C19H31Cl2N3O2 — CID 155562868

IUPACN-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]-2-morpholin-4-ylacetamide;dihydrochloride
SMILESC[C@@H]1CCCN1CCc1ccc(NC(=O)CN2CCOCC2)cc1.Cl.Cl
InChIInChI=1S/C19H29N3O2.2ClH/c1-16-3-2-9-22(16)10-8-17-4-6-18(7-5-17)20-19(23)15-21-11-13-24-14-12-21;;/h4-7,16H,2-3,8-15H2,1H3,(H,20,23);2*1H/t16-;;/m1../s1
InChIKeyILVFIZPZXFTANC-GGMCWBHBSA-N
MW404.38 g/mol
LogP2.83
Rot. Bonds6

About N-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]-2-morpholin-4-ylacetamide;dihydrochloride

N-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]-2-morpholin-4-ylacetamide;dihydrochloride (PubChem CID 155562868) has the molecular formula C19H31Cl2N3O2 and a molecular weight of 404.38 g/mol. Its IUPAC name is N-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]-2-morpholin-4-ylacetamide;dihydrochloride.

Molecular Properties

Compound NameN-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]-2-morpholin-4-ylacetamide;dihydrochloride
PubChem CID155562868
Molecular FormulaC19H31Cl2N3O2
Molecular Weight404.38 g/mol
Exact Mass403.18
IUPAC NameN-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]-2-morpholin-4-ylacetamide;dihydrochloride
SMILESC[C@@H]1CCCN1CCc1ccc(NC(=O)CN2CCOCC2)cc1.Cl.Cl
InChIInChI=1S/C19H29N3O2.2ClH/c1-16-3-2-9-22(16)10-8-17-4-6-18(7-5-17)20-19(23)15-21-11-13-24-14-12-21;;/h4-7,16H,2-3,8-15H2,1H3,(H,20,23);2*1H/t16-;;/m1../s1
InChIKeyILVFIZPZXFTANC-GGMCWBHBSA-N
XLogP2.83
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.38
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N'-(4-methylphenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide
CID 3107635
4-Morpholineacetamide, N-phenyl-
CID 201328
N-(3,4-dimethylphenyl)-3-morpholin-4-ylpropanamide
CID 740682
N-(2,4-dimethylphenyl)-N'-[3-(morpholin-4-yl)propyl]ethanediamide
CID 1912438
N-(3-chloro-4-methylphenyl)-2-morpholinoacetamide
CID 412741
1-(3-Methylphenyl)-3-morpholin-4-ylazolidine-2,5-dione
CID 2827709
4-Morpholineacetamide, N-(2-methylphenyl)-, monohydrochloride
CID 2827840
N-(4-((morpholin-4-yl)methyl)phenyl)acetamide
CID 783020
1-Benzyl-3-(4-(4-morpholinyl)anilino)-2,5-pyrrolidinedione
CID 2861706
N-(2,3-dimethylphenyl)-2-morpholin-4-ylacetamide
CID 755358
N-(3,4-dimethylphenyl)-2-morpholin-4-ylacetamide
CID 856321
N-(3,5-dimethylphenyl)-N'-[3-(morpholin-4-yl)propyl]ethanediamide
CID 2258010

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]-2-morpholin-4-ylacetamide;dihydrochloride?
The IUPAC name of N-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]-2-morpholin-4-ylacetamide;dihydrochloride (CID 155562868) is N-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]-2-morpholin-4-ylacetamide;dihydrochloride.
What is the SMILES notation for N-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]-2-morpholin-4-ylacetamide;dihydrochloride?
The canonical SMILES for N-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]-2-morpholin-4-ylacetamide;dihydrochloride is C[C@@H]1CCCN1CCc1ccc(NC(=O)CN2CCOCC2)cc1.Cl.Cl.
What is the InChIKey of N-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]-2-morpholin-4-ylacetamide;dihydrochloride?
The InChIKey is ILVFIZPZXFTANC-GGMCWBHBSA-N. The full InChI is InChI=1S/C19H29N3O2.2ClH/c1-16-3-2-9-22(16)10-8-17-4-6-18(7-5-17)20-19(23)15-21-11-13-24-14-12-21;;/h4-7,16H,2-3,8-15H2,1H3,(H,20,23);2*1H/t16-;;/m1../s1.
What are the key properties of N-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]-2-morpholin-4-ylacetamide;dihydrochloride?
N-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]-2-morpholin-4-ylacetamide;dihydrochloride has a molecular weight of 404.38 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]-2-morpholin-4-ylacetamide;dihydrochloride is sourced from PubChem (CID 155562868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).