2-amino-N-[(1-ethylpyrrolidin-3-yl)methyl]-2-(oxan-4-yl)acetamide

C14H27N3O2 — CID 120798468

IUPAC2-amino-N-[(1-ethylpyrrolidin-3-yl)methyl]-2-(oxan-4-yl)acetamide
SMILESCCN1CCC(CNC(=O)C(N)C2CCOCC2)C1
InChIInChI=1S/C14H27N3O2/c1-2-17-6-3-11(10-17)9-16-14(18)13(15)12-4-7-19-8-5-12/h11-13H,2-10,15H2,1H3,(H,16,18)
InChIKeyAOXQXEFBCYJLCN-UHFFFAOYSA-N
MW269.39 g/mol
LogP0.20
Rot. Bonds5

About 2-amino-N-[(1-ethylpyrrolidin-3-yl)methyl]-2-(oxan-4-yl)acetamide

2-amino-N-[(1-ethylpyrrolidin-3-yl)methyl]-2-(oxan-4-yl)acetamide (PubChem CID 120798468) has the molecular formula C14H27N3O2 and a molecular weight of 269.39 g/mol. Its IUPAC name is 2-amino-N-[(1-ethylpyrrolidin-3-yl)methyl]-2-(oxan-4-yl)acetamide.

Molecular Properties

Compound Name2-amino-N-[(1-ethylpyrrolidin-3-yl)methyl]-2-(oxan-4-yl)acetamide
PubChem CID120798468
Molecular FormulaC14H27N3O2
Molecular Weight269.39 g/mol
Exact Mass269.21
IUPAC Name2-amino-N-[(1-ethylpyrrolidin-3-yl)methyl]-2-(oxan-4-yl)acetamide
SMILESCCN1CCC(CNC(=O)C(N)C2CCOCC2)C1
InChIInChI=1S/C14H27N3O2/c1-2-17-6-3-11(10-17)9-16-14(18)13(15)12-4-7-19-8-5-12/h11-13H,2-10,15H2,1H3,(H,16,18)
InChIKeyAOXQXEFBCYJLCN-UHFFFAOYSA-N
XLogP0.20
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-2-(oxan-4-yl)-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]acetamide;dihydrochloride
CID 120798463
2-amino-N-[[1-[2-(dimethylamino)ethyl]piperidin-4-yl]methyl]-2-(oxan-4-yl)acetamide;dihydrochloride
CID 120798977
(2S)-2-amino-N-[(1-ethylpyrrolidin-3-yl)methyl]hexanamide
CID 113304850
3-(ethylamino)-N-[(1-ethylpyrrolidin-3-yl)methyl]-2-methylpropanamide
CID 62851851
2-amino-2-(oxan-4-yl)-N-propylacetamide
CID 120783160
2-amino-N-[[1-(2-hydroxy-2-phenylethyl)piperidin-4-yl]methyl]-2-(oxan-4-yl)acetamide
CID 120800182
2-amino-N-[(1-ethylpyrrolidin-3-yl)methyl]-5-methoxypentanamide
CID 81083023
2-amino-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-2-(oxan-4-yl)acetamide
CID 120797192
2-amino-N-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-2-(oxan-4-yl)acetamide
CID 120801606
bis(N-[(1-ethylpyrrolidin-3-yl)methyl]acetamide);methane
CID 162144356
2-amino-3-[(1-ethylpyrrolidin-3-yl)methylamino]propanamide
CID 103239633
2-[(1-ethylpyrrolidin-3-yl)methylamino]-N-(2-methylpropyl)propanamide
CID 54927684

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(1-ethylpyrrolidin-3-yl)methyl]-2-(oxan-4-yl)acetamide?
The IUPAC name of 2-amino-N-[(1-ethylpyrrolidin-3-yl)methyl]-2-(oxan-4-yl)acetamide (CID 120798468) is 2-amino-N-[(1-ethylpyrrolidin-3-yl)methyl]-2-(oxan-4-yl)acetamide.
What is the SMILES notation for 2-amino-N-[(1-ethylpyrrolidin-3-yl)methyl]-2-(oxan-4-yl)acetamide?
The canonical SMILES for 2-amino-N-[(1-ethylpyrrolidin-3-yl)methyl]-2-(oxan-4-yl)acetamide is CCN1CCC(CNC(=O)C(N)C2CCOCC2)C1.
What is the InChIKey of 2-amino-N-[(1-ethylpyrrolidin-3-yl)methyl]-2-(oxan-4-yl)acetamide?
The InChIKey is AOXQXEFBCYJLCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2/c1-2-17-6-3-11(10-17)9-16-14(18)13(15)12-4-7-19-8-5-12/h11-13H,2-10,15H2,1H3,(H,16,18).
What are the key properties of 2-amino-N-[(1-ethylpyrrolidin-3-yl)methyl]-2-(oxan-4-yl)acetamide?
2-amino-N-[(1-ethylpyrrolidin-3-yl)methyl]-2-(oxan-4-yl)acetamide has a molecular weight of 269.39 g/mol, XLogP of 0.20, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(1-ethylpyrrolidin-3-yl)methyl]-2-(oxan-4-yl)acetamide is sourced from PubChem (CID 120798468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).