2-amino-4-[2-methoxyethyl(3-methoxypropyl)amino]butanamide

C11H25N3O3 — CID 63055708

IUPAC2-amino-4-[2-methoxyethyl(3-methoxypropyl)amino]butanamide
SMILESCOCCCN(CCOC)CCC(N)C(N)=O
InChIInChI=1S/C11H25N3O3/c1-16-8-3-5-14(7-9-17-2)6-4-10(12)11(13)15/h10H,3-9,12H2,1-2H3,(H2,13,15)
InChIKeyLBHVOCPRZSBDIA-UHFFFAOYSA-N
MW247.34 g/mol
LogP-0.83
Rot. Bonds11

About 2-amino-4-[2-methoxyethyl(3-methoxypropyl)amino]butanamide

2-amino-4-[2-methoxyethyl(3-methoxypropyl)amino]butanamide (PubChem CID 63055708) has the molecular formula C11H25N3O3 and a molecular weight of 247.34 g/mol. Its IUPAC name is 2-amino-4-[2-methoxyethyl(3-methoxypropyl)amino]butanamide.

Molecular Properties

Compound Name2-amino-4-[2-methoxyethyl(3-methoxypropyl)amino]butanamide
PubChem CID63055708
Molecular FormulaC11H25N3O3
Molecular Weight247.34 g/mol
Exact Mass247.19
IUPAC Name2-amino-4-[2-methoxyethyl(3-methoxypropyl)amino]butanamide
SMILESCOCCCN(CCOC)CCC(N)C(N)=O
InChIInChI=1S/C11H25N3O3/c1-16-8-3-5-14(7-9-17-2)6-4-10(12)11(13)15/h10H,3-9,12H2,1-2H3,(H2,13,15)
InChIKeyLBHVOCPRZSBDIA-UHFFFAOYSA-N
XLogP-0.83
TPSA90.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 5-0.83
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

2-amino-4-[bis(2-methoxyethyl)amino]butanamide
CID 63053778
2-amino-4-[ethyl(2-methoxyethyl)amino]butanamide
CID 63054468
2-amino-4-(dibutylamino)butanamide
CID 63027628
2-amino-3-[3-methoxypropyl(methyl)amino]propanamide
CID 63009708
2-amino-4-[2-methoxyethyl(2-methylpropyl)amino]butanoic acid
CID 63055687
5-[2-methoxyethyl(3-methoxypropyl)amino]pentanoic acid
CID 55137663
methyl 3-[2-methoxyethyl(3-methoxypropyl)amino]-2-methylpropanoate
CID 54989932
3-[2-methoxyethyl(3-methoxypropyl)amino]propanehydrazide
CID 63582905
methyl 2-amino-4-(dibutylamino)butanoate
CID 63028607
2-amino-5-methoxy-N-(3-methoxypropyl)-N-methylpentanamide
CID 81088448
ethyl 2-amino-4-[2-methoxyethyl(2-methylpropyl)amino]butanoate
CID 63053393
5-amino-N-(2-methoxyethyl)-N-(3-methoxypropyl)hexanamide
CID 82851354

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[2-methoxyethyl(3-methoxypropyl)amino]butanamide?
The IUPAC name of 2-amino-4-[2-methoxyethyl(3-methoxypropyl)amino]butanamide (CID 63055708) is 2-amino-4-[2-methoxyethyl(3-methoxypropyl)amino]butanamide.
What is the SMILES notation for 2-amino-4-[2-methoxyethyl(3-methoxypropyl)amino]butanamide?
The canonical SMILES for 2-amino-4-[2-methoxyethyl(3-methoxypropyl)amino]butanamide is COCCCN(CCOC)CCC(N)C(N)=O.
What is the InChIKey of 2-amino-4-[2-methoxyethyl(3-methoxypropyl)amino]butanamide?
The InChIKey is LBHVOCPRZSBDIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3O3/c1-16-8-3-5-14(7-9-17-2)6-4-10(12)11(13)15/h10H,3-9,12H2,1-2H3,(H2,13,15).
What are the key properties of 2-amino-4-[2-methoxyethyl(3-methoxypropyl)amino]butanamide?
2-amino-4-[2-methoxyethyl(3-methoxypropyl)amino]butanamide has a molecular weight of 247.34 g/mol, XLogP of -0.83, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[2-methoxyethyl(3-methoxypropyl)amino]butanamide is sourced from PubChem (CID 63055708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).