N-[2-(N-ethyl-2-methylanilino)ethyl]-4-hydroxypyrrolidine-2-carboxamide;dihydrochloride

C16H27Cl2N3O2 — CID 119853416

IUPACN-[2-(N-ethyl-2-methylanilino)ethyl]-4-hydroxypyrrolidine-2-carboxamide;dihydrochloride
SMILESCCN(CCNC(=O)C1CC(O)CN1)c1ccccc1C.Cl.Cl
InChIInChI=1S/C16H25N3O2.2ClH/c1-3-19(15-7-5-4-6-12(15)2)9-8-17-16(21)14-10-13(20)11-18-14;;/h4-7,13-14,18,20H,3,8-11H2,1-2H3,(H,17,21);2*1H
InChIKeyMUTOLLAFJLXIIY-UHFFFAOYSA-N
MW364.32 g/mol
LogP1.50
Rot. Bonds6

About N-[2-(N-ethyl-2-methylanilino)ethyl]-4-hydroxypyrrolidine-2-carboxamide;dihydrochloride

N-[2-(N-ethyl-2-methylanilino)ethyl]-4-hydroxypyrrolidine-2-carboxamide;dihydrochloride (PubChem CID 119853416) has the molecular formula C16H27Cl2N3O2 and a molecular weight of 364.32 g/mol. Its IUPAC name is N-[2-(N-ethyl-2-methylanilino)ethyl]-4-hydroxypyrrolidine-2-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[2-(N-ethyl-2-methylanilino)ethyl]-4-hydroxypyrrolidine-2-carboxamide;dihydrochloride
PubChem CID119853416
Molecular FormulaC16H27Cl2N3O2
Molecular Weight364.32 g/mol
Exact Mass363.15
IUPAC NameN-[2-(N-ethyl-2-methylanilino)ethyl]-4-hydroxypyrrolidine-2-carboxamide;dihydrochloride
SMILESCCN(CCNC(=O)C1CC(O)CN1)c1ccccc1C.Cl.Cl
InChIInChI=1S/C16H25N3O2.2ClH/c1-3-19(15-7-5-4-6-12(15)2)9-8-17-16(21)14-10-13(20)11-18-14;;/h4-7,13-14,18,20H,3,8-11H2,1-2H3,(H,17,21);2*1H
InChIKeyMUTOLLAFJLXIIY-UHFFFAOYSA-N
XLogP1.50
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 ≤ 51.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(N-ethyl-2-methylanilino)ethyl]piperidine-2-carboxamide;dihydrochloride
CID 119853410
(2S,4S)-N-[2-(dimethylamino)ethyl]-4-hydroxypyrrolidine-2-carboxamide
CID 28943524
3-amino-N-[2-(N-ethyl-2-methylanilino)ethyl]-2-methylbutanamide;dihydrochloride
CID 120503065
N-[2-(N-ethyl-2-methylanilino)ethyl]-2-(methylamino)acetamide;hydrochloride
CID 120703807
N-[4-(diethylamino)butyl]-4-hydroxypyrrolidine-2-carboxamide;dihydrochloride
CID 119852549
4-hydroxy-N-[[1-(2-methylphenyl)cyclopropyl]methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119770261
(2S,5R)-5-(aminomethyl)-N-[2-(N-ethyl-2-methylanilino)ethyl]oxolane-2-carboxamide
CID 120798364
N-[2-(N-ethyl-2-methylanilino)ethyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride
CID 119853428
4-hydroxy-N-[2-(2-methylphenoxy)propyl]pyrrolidine-2-carboxamide
CID 119804985
1-amino-N-[2-(N-ethyl-2-methylanilino)ethyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119853440
1-butanoyl-N-[2-(N-ethyl-2-methylanilino)ethyl]piperidine-4-carboxamide
CID 55873731
4-hydroxy-N-[(3-methyl-2-pyridinyl)methyl]pyrrolidine-2-carboxamide
CID 63306283

Frequently Asked Questions

What is the IUPAC name of N-[2-(N-ethyl-2-methylanilino)ethyl]-4-hydroxypyrrolidine-2-carboxamide;dihydrochloride?
The IUPAC name of N-[2-(N-ethyl-2-methylanilino)ethyl]-4-hydroxypyrrolidine-2-carboxamide;dihydrochloride (CID 119853416) is N-[2-(N-ethyl-2-methylanilino)ethyl]-4-hydroxypyrrolidine-2-carboxamide;dihydrochloride.
What is the SMILES notation for N-[2-(N-ethyl-2-methylanilino)ethyl]-4-hydroxypyrrolidine-2-carboxamide;dihydrochloride?
The canonical SMILES for N-[2-(N-ethyl-2-methylanilino)ethyl]-4-hydroxypyrrolidine-2-carboxamide;dihydrochloride is CCN(CCNC(=O)C1CC(O)CN1)c1ccccc1C.Cl.Cl.
What is the InChIKey of N-[2-(N-ethyl-2-methylanilino)ethyl]-4-hydroxypyrrolidine-2-carboxamide;dihydrochloride?
The InChIKey is MUTOLLAFJLXIIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2.2ClH/c1-3-19(15-7-5-4-6-12(15)2)9-8-17-16(21)14-10-13(20)11-18-14;;/h4-7,13-14,18,20H,3,8-11H2,1-2H3,(H,17,21);2*1H.
What are the key properties of N-[2-(N-ethyl-2-methylanilino)ethyl]-4-hydroxypyrrolidine-2-carboxamide;dihydrochloride?
N-[2-(N-ethyl-2-methylanilino)ethyl]-4-hydroxypyrrolidine-2-carboxamide;dihydrochloride has a molecular weight of 364.32 g/mol, XLogP of 1.50, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(N-ethyl-2-methylanilino)ethyl]-4-hydroxypyrrolidine-2-carboxamide;dihydrochloride is sourced from PubChem (CID 119853416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).