2-[(1-ethylpyrrolidin-2-yl)methylamino]-N-(methylcarbamoyl)propanamide

C12H24N4O2 — CID 43084476

IUPAC2-[(1-ethylpyrrolidin-2-yl)methylamino]-N-(methylcarbamoyl)propanamide
SMILESCCN1CCCC1CNC(C)C(=O)NC(=O)NC
InChIInChI=1S/C12H24N4O2/c1-4-16-7-5-6-10(16)8-14-9(2)11(17)15-12(18)13-3/h9-10,14H,4-8H2,1-3H3,(H2,13,15,17,18)
InChIKeyBCWZDXWEPJFAJR-UHFFFAOYSA-N
MW256.35 g/mol
LogP-0.10
Rot. Bonds5

About 2-[(1-ethylpyrrolidin-2-yl)methylamino]-N-(methylcarbamoyl)propanamide

2-[(1-ethylpyrrolidin-2-yl)methylamino]-N-(methylcarbamoyl)propanamide (PubChem CID 43084476) has the molecular formula C12H24N4O2 and a molecular weight of 256.35 g/mol. Its IUPAC name is 2-[(1-ethylpyrrolidin-2-yl)methylamino]-N-(methylcarbamoyl)propanamide.

Molecular Properties

Compound Name2-[(1-ethylpyrrolidin-2-yl)methylamino]-N-(methylcarbamoyl)propanamide
PubChem CID43084476
Molecular FormulaC12H24N4O2
Molecular Weight256.35 g/mol
Exact Mass256.19
IUPAC Name2-[(1-ethylpyrrolidin-2-yl)methylamino]-N-(methylcarbamoyl)propanamide
SMILESCCN1CCCC1CNC(C)C(=O)NC(=O)NC
InChIInChI=1S/C12H24N4O2/c1-4-16-7-5-6-10(16)8-14-9(2)11(17)15-12(18)13-3/h9-10,14H,4-8H2,1-3H3,(H2,13,15,17,18)
InChIKeyBCWZDXWEPJFAJR-UHFFFAOYSA-N
XLogP-0.10
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 5-0.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(1-ethylpyrrolidin-2-yl)methylamino]-N-(2-methoxyethyl)propanamide
CID 43087685
2-[(1-ethylpyrrolidin-2-yl)methylamino]-N-methylacetamide
CID 43180041
2-[(1,4-dimethylpiperazin-2-yl)methylamino]-N-(methylcarbamoyl)propanamide
CID 63897620
N-[(1-ethylpyrrolidin-2-yl)methyl]butan-2-amine
CID 43195916
N-[(1-ethylpyrrolidin-2-yl)methyl]-3,3-dimethylbutan-2-amine
CID 115706755
(3S)-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-methylpentan-3-amine
CID 93283182
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-N'-(2-methylpropyl)oxamide
CID 7320188
(2S)-2-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-3-methylpentanamide
CID 61173867
N-[(1-ethylpyrrolidin-2-yl)methyl]acetamide;methane
CID 159182126
2-(2-cyclobutylethylamino)-N-(methylcarbamoyl)propanamide
CID 115688595
N-[(1-ethylpyrrolidin-2-yl)methyl]acetamide;methanethiol
CID 143677911
N-cyclopropyl-2-[(1-methylpyrrolidin-2-yl)methylamino]propanamide
CID 106025328

Frequently Asked Questions

What is the IUPAC name of 2-[(1-ethylpyrrolidin-2-yl)methylamino]-N-(methylcarbamoyl)propanamide?
The IUPAC name of 2-[(1-ethylpyrrolidin-2-yl)methylamino]-N-(methylcarbamoyl)propanamide (CID 43084476) is 2-[(1-ethylpyrrolidin-2-yl)methylamino]-N-(methylcarbamoyl)propanamide.
What is the SMILES notation for 2-[(1-ethylpyrrolidin-2-yl)methylamino]-N-(methylcarbamoyl)propanamide?
The canonical SMILES for 2-[(1-ethylpyrrolidin-2-yl)methylamino]-N-(methylcarbamoyl)propanamide is CCN1CCCC1CNC(C)C(=O)NC(=O)NC.
What is the InChIKey of 2-[(1-ethylpyrrolidin-2-yl)methylamino]-N-(methylcarbamoyl)propanamide?
The InChIKey is BCWZDXWEPJFAJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4O2/c1-4-16-7-5-6-10(16)8-14-9(2)11(17)15-12(18)13-3/h9-10,14H,4-8H2,1-3H3,(H2,13,15,17,18).
What are the key properties of 2-[(1-ethylpyrrolidin-2-yl)methylamino]-N-(methylcarbamoyl)propanamide?
2-[(1-ethylpyrrolidin-2-yl)methylamino]-N-(methylcarbamoyl)propanamide has a molecular weight of 256.35 g/mol, XLogP of -0.10, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-ethylpyrrolidin-2-yl)methylamino]-N-(methylcarbamoyl)propanamide is sourced from PubChem (CID 43084476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).