2-[2-methoxyethyl(pyrrolidin-2-ylmethyl)amino]-N-(3-methoxypropyl)acetamide

C14H29N3O3 — CID 106617530

IUPAC2-[2-methoxyethyl(pyrrolidin-2-ylmethyl)amino]-N-(3-methoxypropyl)acetamide
SMILESCOCCCNC(=O)CN(CCOC)CC1CCCN1
InChIInChI=1S/C14H29N3O3/c1-19-9-4-7-16-14(18)12-17(8-10-20-2)11-13-5-3-6-15-13/h13,15H,3-12H2,1-2H3,(H,16,18)
InChIKeyRYTJDXNNPJPQJS-UHFFFAOYSA-N
MW287.40 g/mol
LogP-0.16
Rot. Bonds11

About 2-[2-methoxyethyl(pyrrolidin-2-ylmethyl)amino]-N-(3-methoxypropyl)acetamide

2-[2-methoxyethyl(pyrrolidin-2-ylmethyl)amino]-N-(3-methoxypropyl)acetamide (PubChem CID 106617530) has the molecular formula C14H29N3O3 and a molecular weight of 287.40 g/mol. Its IUPAC name is 2-[2-methoxyethyl(pyrrolidin-2-ylmethyl)amino]-N-(3-methoxypropyl)acetamide.

Molecular Properties

Compound Name2-[2-methoxyethyl(pyrrolidin-2-ylmethyl)amino]-N-(3-methoxypropyl)acetamide
PubChem CID106617530
Molecular FormulaC14H29N3O3
Molecular Weight287.40 g/mol
Exact Mass287.22
IUPAC Name2-[2-methoxyethyl(pyrrolidin-2-ylmethyl)amino]-N-(3-methoxypropyl)acetamide
SMILESCOCCCNC(=O)CN(CCOC)CC1CCCN1
InChIInChI=1S/C14H29N3O3/c1-19-9-4-7-16-14(18)12-17(8-10-20-2)11-13-5-3-6-15-13/h13,15H,3-12H2,1-2H3,(H,16,18)
InChIKeyRYTJDXNNPJPQJS-UHFFFAOYSA-N
XLogP-0.16
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 5-0.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-methoxy-N-(2-methoxyethyl)-N-[[(2R)-pyrrolidin-2-yl]methyl]propan-1-amine
CID 102819399
2-[piperidin-2-ylmethyl(propyl)amino]-N-propylacetamide
CID 106636145
N-(3-methoxypropyl)-2-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]propanamide
CID 106614794
N-carbamoyl-3-[2-methoxyethyl(pyrrolidin-2-ylmethyl)amino]propanamide
CID 106617540
methyl 2-hydroxy-3-[2-methoxyethyl(pyrrolidin-2-ylmethyl)amino]-2-methylpropanoate
CID 106617435
2-hydroxy-3-[2-methoxyethyl(pyrrolidin-2-ylmethyl)amino]-2-methylpropanoic acid
CID 106617477
2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-N-(1-methoxypropan-2-yl)acetamide
CID 106617890
N-(azepan-2-ylmethyl)-2-methoxy-N-(2-methoxyethyl)ethanamine
CID 64569967
1-[2-[2-methoxyethyl(pyrrolidin-2-ylmethyl)amino]acetyl]imidazolidin-2-one
CID 106617628
2-[butyl(pyrrolidin-2-ylmethyl)amino]-N-methylacetamide
CID 106616577
N,N-diethyl-N'-(2-methoxyethyl)-N'-(pyrrolidin-2-ylmethyl)ethane-1,2-diamine
CID 106617646
N'-(2-methoxyethyl)-N,N-dimethyl-N'-(pyrrolidin-2-ylmethyl)ethane-1,2-diamine
CID 106617601

Frequently Asked Questions

What is the IUPAC name of 2-[2-methoxyethyl(pyrrolidin-2-ylmethyl)amino]-N-(3-methoxypropyl)acetamide?
The IUPAC name of 2-[2-methoxyethyl(pyrrolidin-2-ylmethyl)amino]-N-(3-methoxypropyl)acetamide (CID 106617530) is 2-[2-methoxyethyl(pyrrolidin-2-ylmethyl)amino]-N-(3-methoxypropyl)acetamide.
What is the SMILES notation for 2-[2-methoxyethyl(pyrrolidin-2-ylmethyl)amino]-N-(3-methoxypropyl)acetamide?
The canonical SMILES for 2-[2-methoxyethyl(pyrrolidin-2-ylmethyl)amino]-N-(3-methoxypropyl)acetamide is COCCCNC(=O)CN(CCOC)CC1CCCN1.
What is the InChIKey of 2-[2-methoxyethyl(pyrrolidin-2-ylmethyl)amino]-N-(3-methoxypropyl)acetamide?
The InChIKey is RYTJDXNNPJPQJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O3/c1-19-9-4-7-16-14(18)12-17(8-10-20-2)11-13-5-3-6-15-13/h13,15H,3-12H2,1-2H3,(H,16,18).
What are the key properties of 2-[2-methoxyethyl(pyrrolidin-2-ylmethyl)amino]-N-(3-methoxypropyl)acetamide?
2-[2-methoxyethyl(pyrrolidin-2-ylmethyl)amino]-N-(3-methoxypropyl)acetamide has a molecular weight of 287.40 g/mol, XLogP of -0.16, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methoxyethyl(pyrrolidin-2-ylmethyl)amino]-N-(3-methoxypropyl)acetamide is sourced from PubChem (CID 106617530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).