1-(adamantane-1-carbonyl)-N-[2-(ethylamino)ethyl]pyrrolidine-2-carboxamide;hydrochloride

C20H34ClN3O2 — CID 119508361

IUPAC1-(adamantane-1-carbonyl)-N-[2-(ethylamino)ethyl]pyrrolidine-2-carboxamide;hydrochloride
SMILESCCNCCNC(=O)C1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2.Cl
InChIInChI=1S/C20H33N3O2.ClH/c1-2-21-5-6-22-18(24)17-4-3-7-23(17)19(25)20-11-14-8-15(12-20)10-16(9-14)13-20;/h14-17,21H,2-13H2,1H3,(H,22,24);1H
InChIKeyPDHQEXWLHVPEBW-UHFFFAOYSA-N
MW383.96 g/mol
LogP2.34
Rot. Bonds6

About 1-(adamantane-1-carbonyl)-N-[2-(ethylamino)ethyl]pyrrolidine-2-carboxamide;hydrochloride

1-(adamantane-1-carbonyl)-N-[2-(ethylamino)ethyl]pyrrolidine-2-carboxamide;hydrochloride (PubChem CID 119508361) has the molecular formula C20H34ClN3O2 and a molecular weight of 383.96 g/mol. Its IUPAC name is 1-(adamantane-1-carbonyl)-N-[2-(ethylamino)ethyl]pyrrolidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-(adamantane-1-carbonyl)-N-[2-(ethylamino)ethyl]pyrrolidine-2-carboxamide;hydrochloride
PubChem CID119508361
Molecular FormulaC20H34ClN3O2
Molecular Weight383.96 g/mol
Exact Mass383.23
IUPAC Name1-(adamantane-1-carbonyl)-N-[2-(ethylamino)ethyl]pyrrolidine-2-carboxamide;hydrochloride
SMILESCCNCCNC(=O)C1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2.Cl
InChIInChI=1S/C20H33N3O2.ClH/c1-2-21-5-6-22-18(24)17-4-3-7-23(17)19(25)20-11-14-8-15(12-20)10-16(9-14)13-20;/h14-17,21H,2-13H2,1H3,(H,22,24);1H
InChIKeyPDHQEXWLHVPEBW-UHFFFAOYSA-N
XLogP2.34
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.96
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(adamantane-1-carbonyl)-N-[2-(methylamino)ethyl]pyrrolidine-2-carboxamide
CID 119503305
1-acetyl-N-[2-(ethylamino)ethyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119504514
1-acetyl-N-[2-(ethylamino)ethyl]pyrrolidine-2-carboxamide
CID 119504515
1-(adamantane-1-carbonyl)-N-[3-(cyclopentylamino)-3-oxopropyl]pyrrolidine-2-carboxamide
CID 60569039
1-(3,3-dimethylbutanoyl)-N-[2-(ethylamino)ethyl]pyrrolidine-2-carboxamide
CID 119506295
1-(adamantane-1-carbonyl)-N-(2-pyrrolidin-3-ylethyl)pyrrolidine-2-carboxamide
CID 119537044
1-(adamantane-1-carbonyl)-N-(3-pyrazol-1-ylpropyl)pyrrolidine-2-carboxamide
CID 55600339
1-(adamantane-1-carbonyl)-N-(pyrrolidin-2-ylmethyl)pyrrolidine-2-carboxamide
CID 119513584
methyl (2S)-1-(adamantane-1-carbonyl)pyrrolidine-2-carboxylate
CID 7439326
1-(adamantane-1-carbonyl)-N-[2-(4-chlorophenoxy)ethyl]pyrrolidine-2-carboxamide
CID 55372770
(2R)-1-(adamantane-1-carbonyl)-N-[[(2S)-1,4-dioxan-2-yl]methyl]pyrrolidine-2-carboxamide
CID 94630193
(2S)-1-(adamantane-1-carbonyl)-N-[2-(2-methoxy-5-methylphenyl)ethyl]pyrrolidine-2-carboxamide
CID 33106317

Frequently Asked Questions

What is the IUPAC name of 1-(adamantane-1-carbonyl)-N-[2-(ethylamino)ethyl]pyrrolidine-2-carboxamide;hydrochloride?
The IUPAC name of 1-(adamantane-1-carbonyl)-N-[2-(ethylamino)ethyl]pyrrolidine-2-carboxamide;hydrochloride (CID 119508361) is 1-(adamantane-1-carbonyl)-N-[2-(ethylamino)ethyl]pyrrolidine-2-carboxamide;hydrochloride.
What is the SMILES notation for 1-(adamantane-1-carbonyl)-N-[2-(ethylamino)ethyl]pyrrolidine-2-carboxamide;hydrochloride?
The canonical SMILES for 1-(adamantane-1-carbonyl)-N-[2-(ethylamino)ethyl]pyrrolidine-2-carboxamide;hydrochloride is CCNCCNC(=O)C1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2.Cl.
What is the InChIKey of 1-(adamantane-1-carbonyl)-N-[2-(ethylamino)ethyl]pyrrolidine-2-carboxamide;hydrochloride?
The InChIKey is PDHQEXWLHVPEBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N3O2.ClH/c1-2-21-5-6-22-18(24)17-4-3-7-23(17)19(25)20-11-14-8-15(12-20)10-16(9-14)13-20;/h14-17,21H,2-13H2,1H3,(H,22,24);1H.
What are the key properties of 1-(adamantane-1-carbonyl)-N-[2-(ethylamino)ethyl]pyrrolidine-2-carboxamide;hydrochloride?
1-(adamantane-1-carbonyl)-N-[2-(ethylamino)ethyl]pyrrolidine-2-carboxamide;hydrochloride has a molecular weight of 383.96 g/mol, XLogP of 2.34, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(adamantane-1-carbonyl)-N-[2-(ethylamino)ethyl]pyrrolidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119508361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).