1-(3,3-dimethylbutanoyl)-N-[2-(ethylamino)ethyl]pyrrolidine-2-carboxamide

C15H29N3O2 — CID 119506295

IUPAC1-(3,3-dimethylbutanoyl)-N-[2-(ethylamino)ethyl]pyrrolidine-2-carboxamide
SMILESCCNCCNC(=O)C1CCCN1C(=O)CC(C)(C)C
InChIInChI=1S/C15H29N3O2/c1-5-16-8-9-17-14(20)12-7-6-10-18(12)13(19)11-15(2,3)4/h12,16H,5-11H2,1-4H3,(H,17,20)
InChIKeyPGUYPICMJQPLIU-UHFFFAOYSA-N
MW283.42 g/mol
LogP1.14
Rot. Bonds6

About 1-(3,3-dimethylbutanoyl)-N-[2-(ethylamino)ethyl]pyrrolidine-2-carboxamide

1-(3,3-dimethylbutanoyl)-N-[2-(ethylamino)ethyl]pyrrolidine-2-carboxamide (PubChem CID 119506295) has the molecular formula C15H29N3O2 and a molecular weight of 283.42 g/mol. Its IUPAC name is 1-(3,3-dimethylbutanoyl)-N-[2-(ethylamino)ethyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(3,3-dimethylbutanoyl)-N-[2-(ethylamino)ethyl]pyrrolidine-2-carboxamide
PubChem CID119506295
Molecular FormulaC15H29N3O2
Molecular Weight283.42 g/mol
Exact Mass283.23
IUPAC Name1-(3,3-dimethylbutanoyl)-N-[2-(ethylamino)ethyl]pyrrolidine-2-carboxamide
SMILESCCNCCNC(=O)C1CCCN1C(=O)CC(C)(C)C
InChIInChI=1S/C15H29N3O2/c1-5-16-8-9-17-14(20)12-7-6-10-18(12)13(19)11-15(2,3)4/h12,16H,5-11H2,1-4H3,(H,17,20)
InChIKeyPGUYPICMJQPLIU-UHFFFAOYSA-N
XLogP1.14
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 51.14
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
CID 119504515
1-acetyl-N-[2-(ethylamino)ethyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119504514
1-(adamantane-1-carbonyl)-N-[2-(ethylamino)ethyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119508361
1-(3,3-dimethylbutanoyl)-N-(2-pyrrolidin-3-ylethyl)pyrrolidine-2-carboxamide
CID 119535072
(2S)-1-(3,3-dimethylbutanoyl)-N-[2-[(4-methoxybenzoyl)amino]ethyl]pyrrolidine-2-carboxamide
CID 51071501
1-(3,3-dimethylbutanoyl)-N-(3-hydroxy-2,2,4-trimethylpentyl)pyrrolidine-2-carboxamide
CID 109380565
ethyl 1-(3,3-dimethylbutanoyl)pyrrolidine-2-carboxylate
CID 55005582
N-[2-(aminomethyl)cyclopentyl]-1-(3,3-dimethylbutanoyl)pyrrolidine-2-carboxamide
CID 119602226
1-(3,3-dimethylbutanoyl)-N-phenylpyrrolidine-2-carboxamide
CID 134005373
4-[[[1-(3,3-dimethylbutanoyl)pyrrolidine-2-carbonyl]amino]methyl]oxane-4-carboxylic acid
CID 120543085
N-(2-aminoethyl)-1-[1-(3,3-dimethylbutanoyl)pyrrolidine-2-carbonyl]piperidine-3-carboxamide
CID 119480372
1-(3,3-dimethylbutanoyl)-N-piperidin-3-ylpyrrolidine-2-carboxamide;hydrochloride
CID 119425971

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-dimethylbutanoyl)-N-[2-(ethylamino)ethyl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-(3,3-dimethylbutanoyl)-N-[2-(ethylamino)ethyl]pyrrolidine-2-carboxamide (CID 119506295) is 1-(3,3-dimethylbutanoyl)-N-[2-(ethylamino)ethyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(3,3-dimethylbutanoyl)-N-[2-(ethylamino)ethyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-(3,3-dimethylbutanoyl)-N-[2-(ethylamino)ethyl]pyrrolidine-2-carboxamide is CCNCCNC(=O)C1CCCN1C(=O)CC(C)(C)C.
What is the InChIKey of 1-(3,3-dimethylbutanoyl)-N-[2-(ethylamino)ethyl]pyrrolidine-2-carboxamide?
The InChIKey is PGUYPICMJQPLIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O2/c1-5-16-8-9-17-14(20)12-7-6-10-18(12)13(19)11-15(2,3)4/h12,16H,5-11H2,1-4H3,(H,17,20).
What are the key properties of 1-(3,3-dimethylbutanoyl)-N-[2-(ethylamino)ethyl]pyrrolidine-2-carboxamide?
1-(3,3-dimethylbutanoyl)-N-[2-(ethylamino)ethyl]pyrrolidine-2-carboxamide has a molecular weight of 283.42 g/mol, XLogP of 1.14, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-dimethylbutanoyl)-N-[2-(ethylamino)ethyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 119506295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).