2-[(1-ethylpyrrolidin-3-yl)methylamino]-N-(2-methylbutan-2-yl)acetamide

C14H29N3O — CID 54955961

IUPAC2-[(1-ethylpyrrolidin-3-yl)methylamino]-N-(2-methylbutan-2-yl)acetamide
SMILESCCN1CCC(CNCC(=O)NC(C)(C)CC)C1
InChIInChI=1S/C14H29N3O/c1-5-14(3,4)16-13(18)10-15-9-12-7-8-17(6-2)11-12/h12,15H,5-11H2,1-4H3,(H,16,18)
InChIKeyAGKHNEURYGSYGQ-UHFFFAOYSA-N
MW255.41 g/mol
LogP1.22
Rot. Bonds7

About 2-[(1-ethylpyrrolidin-3-yl)methylamino]-N-(2-methylbutan-2-yl)acetamide

2-[(1-ethylpyrrolidin-3-yl)methylamino]-N-(2-methylbutan-2-yl)acetamide (PubChem CID 54955961) has the molecular formula C14H29N3O and a molecular weight of 255.41 g/mol. Its IUPAC name is 2-[(1-ethylpyrrolidin-3-yl)methylamino]-N-(2-methylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-[(1-ethylpyrrolidin-3-yl)methylamino]-N-(2-methylbutan-2-yl)acetamide
PubChem CID54955961
Molecular FormulaC14H29N3O
Molecular Weight255.41 g/mol
Exact Mass255.23
IUPAC Name2-[(1-ethylpyrrolidin-3-yl)methylamino]-N-(2-methylbutan-2-yl)acetamide
SMILESCCN1CCC(CNCC(=O)NC(C)(C)CC)C1
InChIInChI=1S/C14H29N3O/c1-5-14(3,4)16-13(18)10-15-9-12-7-8-17(6-2)11-12/h12,15H,5-11H2,1-4H3,(H,16,18)
InChIKeyAGKHNEURYGSYGQ-UHFFFAOYSA-N
XLogP1.22
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclopentylmethylamino)-N-(2-methylbutan-2-yl)acetamide
CID 61486055
2-[4-(ethylaminomethyl)piperidin-1-yl]-N-(2-methylbutan-2-yl)acetamide;hydrochloride
CID 119928203
2-[(3-hydroxycyclobutyl)methylamino]-N-(2-methylbutan-2-yl)acetamide
CID 66005947
ethyl 2-[(1-ethylpyrrolidin-3-yl)methylamino]acetate
CID 60856206
2-[(1-ethylpyrrolidin-3-yl)methylamino]-N-(2-methoxyethyl)acetamide
CID 54956631
3-chloro-N-[(1-ethylpyrrolidin-3-yl)methyl]-2,2-dimethylpropanamide
CID 63680576
2-amino-N-[(1-ethylpyrrolidin-3-yl)methyl]-2-methylbutanamide
CID 79797123
N-tert-butyl-2-[(1-methylpyrrolidin-3-yl)methylamino]acetamide
CID 60856288
2-chloro-N-[(1-ethylpyrrolidin-3-yl)methyl]prop-2-en-1-amine
CID 60872237
3-[[(1-ethylpyrrolidin-3-yl)methylamino]methyl]pentan-3-ol
CID 114492830
2-amino-2-ethyl-N-[(1-ethylpyrrolidin-3-yl)methyl]butanamide
CID 79809539
tert-butyl N-[[(3S)-1-ethylpyrrolidin-3-yl]methyl]carbamate
CID 70878490

Frequently Asked Questions

What is the IUPAC name of 2-[(1-ethylpyrrolidin-3-yl)methylamino]-N-(2-methylbutan-2-yl)acetamide?
The IUPAC name of 2-[(1-ethylpyrrolidin-3-yl)methylamino]-N-(2-methylbutan-2-yl)acetamide (CID 54955961) is 2-[(1-ethylpyrrolidin-3-yl)methylamino]-N-(2-methylbutan-2-yl)acetamide.
What is the SMILES notation for 2-[(1-ethylpyrrolidin-3-yl)methylamino]-N-(2-methylbutan-2-yl)acetamide?
The canonical SMILES for 2-[(1-ethylpyrrolidin-3-yl)methylamino]-N-(2-methylbutan-2-yl)acetamide is CCN1CCC(CNCC(=O)NC(C)(C)CC)C1.
What is the InChIKey of 2-[(1-ethylpyrrolidin-3-yl)methylamino]-N-(2-methylbutan-2-yl)acetamide?
The InChIKey is AGKHNEURYGSYGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O/c1-5-14(3,4)16-13(18)10-15-9-12-7-8-17(6-2)11-12/h12,15H,5-11H2,1-4H3,(H,16,18).
What are the key properties of 2-[(1-ethylpyrrolidin-3-yl)methylamino]-N-(2-methylbutan-2-yl)acetamide?
2-[(1-ethylpyrrolidin-3-yl)methylamino]-N-(2-methylbutan-2-yl)acetamide has a molecular weight of 255.41 g/mol, XLogP of 1.22, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-ethylpyrrolidin-3-yl)methylamino]-N-(2-methylbutan-2-yl)acetamide is sourced from PubChem (CID 54955961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).