2-(aminomethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)-2-methylbutanamide

C13H28N2O3 — CID 114290515

IUPAC2-(aminomethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)-2-methylbutanamide
SMILESCCC(C)(CN)C(=O)N(CCCOC)CCOC
InChIInChI=1S/C13H28N2O3/c1-5-13(2,11-14)12(16)15(8-10-18-4)7-6-9-17-3/h5-11,14H2,1-4H3
InChIKeyLXOBTJHIOIECQI-UHFFFAOYSA-N
MW260.38 g/mol
LogP0.87
Rot. Bonds10

About 2-(aminomethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)-2-methylbutanamide

2-(aminomethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)-2-methylbutanamide (PubChem CID 114290515) has the molecular formula C13H28N2O3 and a molecular weight of 260.38 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)-2-methylbutanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)-2-methylbutanamide
PubChem CID114290515
Molecular FormulaC13H28N2O3
Molecular Weight260.38 g/mol
Exact Mass260.21
IUPAC Name2-(aminomethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)-2-methylbutanamide
SMILESCCC(C)(CN)C(=O)N(CCCOC)CCOC
InChIInChI=1S/C13H28N2O3/c1-5-13(2,11-14)12(16)15(8-10-18-4)7-6-9-17-3/h5-11,14H2,1-4H3
InChIKeyLXOBTJHIOIECQI-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'}

Analyze 2-(aminomethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)-2-methylbutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-N-[3-(dimethylamino)propyl]-N-(2-methoxyethyl)-2,2-dimethylpropanamide
CID 113307599
2-cyano-N-(2-methoxyethyl)-N-(3-methoxypropyl)-2-methylpropanamide
CID 61217362
3-amino-N,N-bis(2-methoxyethyl)-2,2,3-trimethylbutanamide
CID 65264293
2-bromo-N-(2-methoxyethyl)-N-(3-methoxypropyl)acetamide
CID 63678594
2-amino-3,3,3-trifluoro-N,N-bis(2-methoxyethyl)-2-methylpropanamide
CID 79796803
2-[ethyl-[2-methoxyethyl(3-methoxypropyl)carbamoyl]amino]-2-methylpropanoic acid
CID 62820097
2-chloro-N-(2-methoxyethyl)-N-(3-methoxypropyl)acetamide
CID 60981148
2-(aminomethyl)-N-(2-methoxyethyl)-2-methylbutanamide
CID 114290208
2-amino-N-(2-methoxyethyl)-N-(3-methoxypropyl)-3-methylpentanamide
CID 54880078
1-(aminomethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)-3-methylcyclobutane-1-carboxamide
CID 80588345
2-(aminomethyl)-N-cyclobutyl-N-(3-hydroxypropyl)-2-methylbutanamide
CID 102861246
ethyl 2-[(2-amino-2-methylbutanoyl)-(2-methoxyethyl)amino]acetate
CID 79804892

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)-2-methylbutanamide?
The IUPAC name of 2-(aminomethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)-2-methylbutanamide (CID 114290515) is 2-(aminomethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)-2-methylbutanamide.
What is the SMILES notation for 2-(aminomethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)-2-methylbutanamide?
The canonical SMILES for 2-(aminomethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)-2-methylbutanamide is CCC(C)(CN)C(=O)N(CCCOC)CCOC.
What is the InChIKey of 2-(aminomethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)-2-methylbutanamide?
The InChIKey is LXOBTJHIOIECQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O3/c1-5-13(2,11-14)12(16)15(8-10-18-4)7-6-9-17-3/h5-11,14H2,1-4H3.
What are the key properties of 2-(aminomethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)-2-methylbutanamide?
2-(aminomethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)-2-methylbutanamide 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-(aminomethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)-2-methylbutanamide is sourced from PubChem (CID 114290515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).