N-[4-(diethylamino)butyl]-4-hydroxypyrrolidine-2-carboxamide;dihydrochloride

C13H29Cl2N3O2 — CID 119852549

IUPACN-[4-(diethylamino)butyl]-4-hydroxypyrrolidine-2-carboxamide;dihydrochloride
SMILESCCN(CC)CCCCNC(=O)C1CC(O)CN1.Cl.Cl
InChIInChI=1S/C13H27N3O2.2ClH/c1-3-16(4-2)8-6-5-7-14-13(18)12-9-11(17)10-15-12;;/h11-12,15,17H,3-10H2,1-2H3,(H,14,18);2*1H
InChIKeyHELPIMGGPDLDLO-UHFFFAOYSA-N
MW330.30 g/mol
LogP0.79
Rot. Bonds8

About N-[4-(diethylamino)butyl]-4-hydroxypyrrolidine-2-carboxamide;dihydrochloride

N-[4-(diethylamino)butyl]-4-hydroxypyrrolidine-2-carboxamide;dihydrochloride (PubChem CID 119852549) has the molecular formula C13H29Cl2N3O2 and a molecular weight of 330.30 g/mol. Its IUPAC name is N-[4-(diethylamino)butyl]-4-hydroxypyrrolidine-2-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[4-(diethylamino)butyl]-4-hydroxypyrrolidine-2-carboxamide;dihydrochloride
PubChem CID119852549
Molecular FormulaC13H29Cl2N3O2
Molecular Weight330.30 g/mol
Exact Mass329.16
IUPAC NameN-[4-(diethylamino)butyl]-4-hydroxypyrrolidine-2-carboxamide;dihydrochloride
SMILESCCN(CC)CCCCNC(=O)C1CC(O)CN1.Cl.Cl
InChIInChI=1S/C13H27N3O2.2ClH/c1-3-16(4-2)8-6-5-7-14-13(18)12-9-11(17)10-15-12;;/h11-12,15,17H,3-10H2,1-2H3,(H,14,18);2*1H
InChIKeyHELPIMGGPDLDLO-UHFFFAOYSA-N
XLogP0.79
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.30
LogP ≤ 50.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-hydroxy-N-octylpyrrolidine-2-carboxamide
CID 113337253
(2S,4S)-N-[2-(dimethylamino)ethyl]-4-hydroxypyrrolidine-2-carboxamide
CID 28943524
(2R,4R)-N-(2-aminoethyl)-4-hydroxypyrrolidine-2-carboxamide;hydrochloride
CID 130652446
4-hydroxy-N-(7-methyloctyl)pyrrolidine-2-carboxamide
CID 61275212
(2R,4S)-N-ethyl-4-hydroxypyrrolidine-2-carboxamide
CID 28943534
N-[2-(cyclopropanecarbonylamino)ethyl]-4-hydroxypyrrolidine-2-carboxamide
CID 115738030
N-[4-(diethylamino)butyl]piperidine-4-carboxamide;dihydrochloride
CID 119852526
N-[2-(N-ethyl-2-methylanilino)ethyl]-4-hydroxypyrrolidine-2-carboxamide;dihydrochloride
CID 119853416
4-hydroxy-N-[4-(2-methylpiperidin-1-yl)butyl]pyrrolidine-2-carboxamide;dihydrochloride
CID 119852622
N-[4-(diethylamino)butyl]pyrrolidine-3-carboxamide
CID 119852584
N-[3-(diethylamino)propyl]azepane-2-carboxamide
CID 64563964
N-[4-(cyclopropylamino)-4-oxobutyl]-4-hydroxypyrrolidine-2-carboxamide
CID 79401002

Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylamino)butyl]-4-hydroxypyrrolidine-2-carboxamide;dihydrochloride?
The IUPAC name of N-[4-(diethylamino)butyl]-4-hydroxypyrrolidine-2-carboxamide;dihydrochloride (CID 119852549) is N-[4-(diethylamino)butyl]-4-hydroxypyrrolidine-2-carboxamide;dihydrochloride.
What is the SMILES notation for N-[4-(diethylamino)butyl]-4-hydroxypyrrolidine-2-carboxamide;dihydrochloride?
The canonical SMILES for N-[4-(diethylamino)butyl]-4-hydroxypyrrolidine-2-carboxamide;dihydrochloride is CCN(CC)CCCCNC(=O)C1CC(O)CN1.Cl.Cl.
What is the InChIKey of N-[4-(diethylamino)butyl]-4-hydroxypyrrolidine-2-carboxamide;dihydrochloride?
The InChIKey is HELPIMGGPDLDLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O2.2ClH/c1-3-16(4-2)8-6-5-7-14-13(18)12-9-11(17)10-15-12;;/h11-12,15,17H,3-10H2,1-2H3,(H,14,18);2*1H.
What are the key properties of N-[4-(diethylamino)butyl]-4-hydroxypyrrolidine-2-carboxamide;dihydrochloride?
N-[4-(diethylamino)butyl]-4-hydroxypyrrolidine-2-carboxamide;dihydrochloride has a molecular weight of 330.30 g/mol, XLogP of 0.79, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylamino)butyl]-4-hydroxypyrrolidine-2-carboxamide;dihydrochloride is sourced from PubChem (CID 119852549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).