1-acetyl-N-[2-(ethylamino)ethyl]pyrrolidine-2-carboxamide

C11H21N3O2 — CID 119504515

IUPAC1-acetyl-N-[2-(ethylamino)ethyl]pyrrolidine-2-carboxamide
SMILESCCNCCNC(=O)C1CCCN1C(C)=O
InChIInChI=1S/C11H21N3O2/c1-3-12-6-7-13-11(16)10-5-4-8-14(10)9(2)15/h10,12H,3-8H2,1-2H3,(H,13,16)
InChIKeyRGQYIEHFOMTTBE-UHFFFAOYSA-N
MW227.31 g/mol
LogP-0.28
Rot. Bonds5

About 1-acetyl-N-[2-(ethylamino)ethyl]pyrrolidine-2-carboxamide

1-acetyl-N-[2-(ethylamino)ethyl]pyrrolidine-2-carboxamide (PubChem CID 119504515) has the molecular formula C11H21N3O2 and a molecular weight of 227.31 g/mol. Its IUPAC name is 1-acetyl-N-[2-(ethylamino)ethyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-[2-(ethylamino)ethyl]pyrrolidine-2-carboxamide
PubChem CID119504515
Molecular FormulaC11H21N3O2
Molecular Weight227.31 g/mol
Exact Mass227.16
IUPAC Name1-acetyl-N-[2-(ethylamino)ethyl]pyrrolidine-2-carboxamide
SMILESCCNCCNC(=O)C1CCCN1C(C)=O
InChIInChI=1S/C11H21N3O2/c1-3-12-6-7-13-11(16)10-5-4-8-14(10)9(2)15/h10,12H,3-8H2,1-2H3,(H,13,16)
InChIKeyRGQYIEHFOMTTBE-UHFFFAOYSA-N
XLogP-0.28
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 5-0.28
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-acetyl-N-[2-(ethylamino)ethyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119504514
1-(3,3-dimethylbutanoyl)-N-[2-(ethylamino)ethyl]pyrrolidine-2-carboxamide
CID 119506295
1-acetyl-N-(2-oxoethyl)pyrrolidine-2-carboxamide
CID 163643584
1-(adamantane-1-carbonyl)-N-[2-(ethylamino)ethyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119508361
1-acetyl-N-[(2R)-2-(ethylamino)propyl]pyrrolidine-2-carboxamide;hydrochloride
CID 120653066
1-acetyl-N-[2-(2-methylprop-2-enoxy)ethyl]pyrrolidine-2-carboxamide
CID 71849160
CID 59765360
CID 59765360
(2S)-1-[2-[[(2S)-1-acetylpyrrolidine-2-carbonyl]amino]acetyl]pyrrolidine-2-carboxylic acid
CID 46182782
1-N,2-N-dibutylpyrrolidine-1,2-dicarboxamide
CID 150722678
(2S)-N-ethyl-1-(2-methylprop-2-enoyl)pyrrolidine-2-carboxamide
CID 14282316
1-acetyl-N-[2-[(3,4-dichlorobenzoyl)amino]ethyl]pyrrolidine-2-carboxamide
CID 78868255
1-acetyl-N-[3-[2-[2-[3-(ethynylamino)propoxy]ethoxy]ethoxy]propyl]pyrrolidine-2-carboxamide
CID 135214600

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-[2-(ethylamino)ethyl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-acetyl-N-[2-(ethylamino)ethyl]pyrrolidine-2-carboxamide (CID 119504515) is 1-acetyl-N-[2-(ethylamino)ethyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-acetyl-N-[2-(ethylamino)ethyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-acetyl-N-[2-(ethylamino)ethyl]pyrrolidine-2-carboxamide is CCNCCNC(=O)C1CCCN1C(C)=O.
What is the InChIKey of 1-acetyl-N-[2-(ethylamino)ethyl]pyrrolidine-2-carboxamide?
The InChIKey is RGQYIEHFOMTTBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2/c1-3-12-6-7-13-11(16)10-5-4-8-14(10)9(2)15/h10,12H,3-8H2,1-2H3,(H,13,16).
What are the key properties of 1-acetyl-N-[2-(ethylamino)ethyl]pyrrolidine-2-carboxamide?
1-acetyl-N-[2-(ethylamino)ethyl]pyrrolidine-2-carboxamide has a molecular weight of 227.31 g/mol, XLogP of -0.28, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-[2-(ethylamino)ethyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 119504515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).