2-amino-N-(2-methoxyethyl)-N-(3-methoxypropyl)-3-methylpentanamide

C13H28N2O3 — CID 54880078

IUPAC2-amino-N-(2-methoxyethyl)-N-(3-methoxypropyl)-3-methylpentanamide
SMILESCCC(C)C(N)C(=O)N(CCCOC)CCOC
InChIInChI=1S/C13H28N2O3/c1-5-11(2)12(14)13(16)15(8-10-18-4)7-6-9-17-3/h11-12H,5-10,14H2,1-4H3
InChIKeyYANBSQHTVJKYCM-UHFFFAOYSA-N
MW260.38 g/mol
LogP0.87
Rot. Bonds10

About 2-amino-N-(2-methoxyethyl)-N-(3-methoxypropyl)-3-methylpentanamide

2-amino-N-(2-methoxyethyl)-N-(3-methoxypropyl)-3-methylpentanamide (PubChem CID 54880078) has the molecular formula C13H28N2O3 and a molecular weight of 260.38 g/mol. Its IUPAC name is 2-amino-N-(2-methoxyethyl)-N-(3-methoxypropyl)-3-methylpentanamide.

Molecular Properties

Compound Name2-amino-N-(2-methoxyethyl)-N-(3-methoxypropyl)-3-methylpentanamide
PubChem CID54880078
Molecular FormulaC13H28N2O3
Molecular Weight260.38 g/mol
Exact Mass260.21
IUPAC Name2-amino-N-(2-methoxyethyl)-N-(3-methoxypropyl)-3-methylpentanamide
SMILESCCC(C)C(N)C(=O)N(CCCOC)CCOC
InChIInChI=1S/C13H28N2O3/c1-5-11(2)12(14)13(16)15(8-10-18-4)7-6-9-17-3/h11-12H,5-10,14H2,1-4H3
InChIKeyYANBSQHTVJKYCM-UHFFFAOYSA-N
XLogP0.87
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 50.87
H-Bond Donors ≤ 51
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-(2-hydroxyethyl)-N-(2-methoxyethyl)-3-methylpentanamide
CID 104861622
2-amino-N-ethyl-N-(2-methoxyethyl)-3-methylpentanamide
CID 61446871
(2S,3S)-2-amino-N-(3-methoxypropyl)-N,3-dimethylpentanamide
CID 63009481
2-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-(2-methoxyethyl)-3-methylpentanamide
CID 54871190
(2S,3S)-2-amino-3-methyl-N,N-dipropylpentanamide
CID 42314652
2-amino-N-butan-2-yl-N-(2-methoxyethyl)-3-methylpentanamide
CID 55000825
(2S)-2-amino-N-ethyl-N-(2-methoxyethyl)-3-methylbutanamide
CID 61447181
3-[2-methoxyethyl(3-methoxypropyl)amino]-2-methyl-3-oxopropanoic acid
CID 114896858
5-amino-N-(2-methoxyethyl)-N-(3-methoxypropyl)hexanamide
CID 82851354
(2S,3S)-2-amino-N-(2-ethoxyethyl)-N-ethyl-3-methylpentanamide
CID 63690931
(2S)-2-amino-N-[3-(diethylamino)propyl]-N-ethyl-3-methylpentanamide
CID 102993086
(2S)-2-amino-N-(2-methoxyethyl)-3-methyl-N-(2-methylpropyl)butanamide
CID 61162971

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-methoxyethyl)-N-(3-methoxypropyl)-3-methylpentanamide?
The IUPAC name of 2-amino-N-(2-methoxyethyl)-N-(3-methoxypropyl)-3-methylpentanamide (CID 54880078) is 2-amino-N-(2-methoxyethyl)-N-(3-methoxypropyl)-3-methylpentanamide.
What is the SMILES notation for 2-amino-N-(2-methoxyethyl)-N-(3-methoxypropyl)-3-methylpentanamide?
The canonical SMILES for 2-amino-N-(2-methoxyethyl)-N-(3-methoxypropyl)-3-methylpentanamide is CCC(C)C(N)C(=O)N(CCCOC)CCOC.
What is the InChIKey of 2-amino-N-(2-methoxyethyl)-N-(3-methoxypropyl)-3-methylpentanamide?
The InChIKey is YANBSQHTVJKYCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O3/c1-5-11(2)12(14)13(16)15(8-10-18-4)7-6-9-17-3/h11-12H,5-10,14H2,1-4H3.
What are the key properties of 2-amino-N-(2-methoxyethyl)-N-(3-methoxypropyl)-3-methylpentanamide?
2-amino-N-(2-methoxyethyl)-N-(3-methoxypropyl)-3-methylpentanamide has a molecular weight of 260.38 g/mol, XLogP of 0.87, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-methoxyethyl)-N-(3-methoxypropyl)-3-methylpentanamide is sourced from PubChem (CID 54880078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).