2-amino-N-[(1-ethylpyrrolidin-3-yl)methyl]-5-methoxypentanamide

C13H27N3O2 — CID 81083023

IUPAC2-amino-N-[(1-ethylpyrrolidin-3-yl)methyl]-5-methoxypentanamide
SMILESCCN1CCC(CNC(=O)C(N)CCCOC)C1
InChIInChI=1S/C13H27N3O2/c1-3-16-7-6-11(10-16)9-15-13(17)12(14)5-4-8-18-2/h11-12H,3-10,14H2,1-2H3,(H,15,17)
InChIKeyLDCAODGOPNPIQT-UHFFFAOYSA-N
MW257.38 g/mol
LogP0.20
Rot. Bonds8

About 2-amino-N-[(1-ethylpyrrolidin-3-yl)methyl]-5-methoxypentanamide

2-amino-N-[(1-ethylpyrrolidin-3-yl)methyl]-5-methoxypentanamide (PubChem CID 81083023) has the molecular formula C13H27N3O2 and a molecular weight of 257.38 g/mol. Its IUPAC name is 2-amino-N-[(1-ethylpyrrolidin-3-yl)methyl]-5-methoxypentanamide.

Molecular Properties

Compound Name2-amino-N-[(1-ethylpyrrolidin-3-yl)methyl]-5-methoxypentanamide
PubChem CID81083023
Molecular FormulaC13H27N3O2
Molecular Weight257.38 g/mol
Exact Mass257.21
IUPAC Name2-amino-N-[(1-ethylpyrrolidin-3-yl)methyl]-5-methoxypentanamide
SMILESCCN1CCC(CNC(=O)C(N)CCCOC)C1
InChIInChI=1S/C13H27N3O2/c1-3-16-7-6-11(10-16)9-15-13(17)12(14)5-4-8-18-2/h11-12H,3-10,14H2,1-2H3,(H,15,17)
InChIKeyLDCAODGOPNPIQT-UHFFFAOYSA-N
XLogP0.20
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-amino-N-[(1-ethylpyrrolidin-3-yl)methyl]hexanamide
CID 113304850
2-amino-N-[(4-hydroxycyclohexyl)methyl]-5-methoxypentanamide
CID 106135403
2-amino-4-methoxy-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]butanamide
CID 62472672
2-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-5-methoxypentanamide
CID 81080945
2-amino-4-methoxy-N-[(1-methylpiperidin-3-yl)methyl]butanamide
CID 62475604
2-amino-5-methoxy-N-(oxan-3-ylmethyl)pentanamide
CID 81088387
2-amino-5-methoxy-N-[(5-oxopyrrolidin-2-yl)methyl]pentanamide
CID 81102695
2-[(1-ethylpyrrolidin-3-yl)methylamino]-N-(2-methoxyethyl)acetamide
CID 54956631
2-amino-N-[(1-ethylpyrrolidin-3-yl)methyl]-2-(oxan-4-yl)acetamide
CID 120798468
2-amino-5-methoxy-N-propylpentanamide
CID 81082005
(2R)-2-amino-N-[(1-ethylpiperidin-4-yl)methyl]-3-methylbutanamide
CID 79012313
2-amino-5-methoxy-N-(3-methoxypropyl)pentanamide
CID 81081158

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(1-ethylpyrrolidin-3-yl)methyl]-5-methoxypentanamide?
The IUPAC name of 2-amino-N-[(1-ethylpyrrolidin-3-yl)methyl]-5-methoxypentanamide (CID 81083023) is 2-amino-N-[(1-ethylpyrrolidin-3-yl)methyl]-5-methoxypentanamide.
What is the SMILES notation for 2-amino-N-[(1-ethylpyrrolidin-3-yl)methyl]-5-methoxypentanamide?
The canonical SMILES for 2-amino-N-[(1-ethylpyrrolidin-3-yl)methyl]-5-methoxypentanamide is CCN1CCC(CNC(=O)C(N)CCCOC)C1.
What is the InChIKey of 2-amino-N-[(1-ethylpyrrolidin-3-yl)methyl]-5-methoxypentanamide?
The InChIKey is LDCAODGOPNPIQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O2/c1-3-16-7-6-11(10-16)9-15-13(17)12(14)5-4-8-18-2/h11-12H,3-10,14H2,1-2H3,(H,15,17).
What are the key properties of 2-amino-N-[(1-ethylpyrrolidin-3-yl)methyl]-5-methoxypentanamide?
2-amino-N-[(1-ethylpyrrolidin-3-yl)methyl]-5-methoxypentanamide has a molecular weight of 257.38 g/mol, XLogP of 0.20, 8 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]-5-methoxypentanamide is sourced from PubChem (CID 81083023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).