4-amino-3-[2-ethoxyethyl(methyl)amino]-N,N-dimethylbutanamide

C11H25N3O2 — CID 81059610

IUPAC4-amino-3-[2-ethoxyethyl(methyl)amino]-N,N-dimethylbutanamide
SMILESCCOCCN(C)C(CN)CC(=O)N(C)C
InChIInChI=1S/C11H25N3O2/c1-5-16-7-6-14(4)10(9-12)8-11(15)13(2)3/h10H,5-9,12H2,1-4H3
InChIKeyDJFJDGMALKLQOU-UHFFFAOYSA-N
MW231.34 g/mol
LogP-0.24
Rot. Bonds8

About 4-amino-3-[2-ethoxyethyl(methyl)amino]-N,N-dimethylbutanamide

4-amino-3-[2-ethoxyethyl(methyl)amino]-N,N-dimethylbutanamide (PubChem CID 81059610) has the molecular formula C11H25N3O2 and a molecular weight of 231.34 g/mol. Its IUPAC name is 4-amino-3-[2-ethoxyethyl(methyl)amino]-N,N-dimethylbutanamide.

Molecular Properties

Compound Name4-amino-3-[2-ethoxyethyl(methyl)amino]-N,N-dimethylbutanamide
PubChem CID81059610
Molecular FormulaC11H25N3O2
Molecular Weight231.34 g/mol
Exact Mass231.19
IUPAC Name4-amino-3-[2-ethoxyethyl(methyl)amino]-N,N-dimethylbutanamide
SMILESCCOCCN(C)C(CN)CC(=O)N(C)C
InChIInChI=1S/C11H25N3O2/c1-5-16-7-6-14(4)10(9-12)8-11(15)13(2)3/h10H,5-9,12H2,1-4H3
InChIKeyDJFJDGMALKLQOU-UHFFFAOYSA-N
XLogP-0.24
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 5-0.24
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

4-amino-3-[3-methoxypropyl(methyl)amino]-N,N-dimethylbutanamide
CID 66431256
4-amino-3-[3-(dimethylamino)propyl-methylamino]-N,N-dimethylbutanamide
CID 66430036
2-N-(2-ethoxyethyl)-4,4-dimethoxy-2-N-methylbutane-1,2-diamine
CID 81058494
4-amino-3-[2-methoxyethyl(pentan-3-yl)amino]-N,N-dimethylbutanamide
CID 66431664
4-amino-3-[2,2-dimethylpropyl(methyl)amino]-N,N-dimethylbutanamide
CID 66432485
4-amino-3-[cyclopropylmethyl(methyl)amino]-N,N-dimethylbutanamide
CID 66430431
3-[2-ethoxyethyl(methyl)amino]butan-2-one
CID 81057001
4-amino-N,N-bis(2-ethoxyethyl)-3-methylbutanamide
CID 82964992
ethyl 3-[bis(2-ethoxyethyl)amino]butanoate
CID 82951064
4-amino-3-[cyclohexylmethyl(methyl)amino]-N,N-dimethylbutanamide
CID 66429827
3-amino-N-(2-ethoxyethyl)-2-methoxy-N-methylpropanamide
CID 106113210
3-amino-N-(2-ethoxyethyl)-N-methylpropanamide
CID 81058300

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-[2-ethoxyethyl(methyl)amino]-N,N-dimethylbutanamide?
The IUPAC name of 4-amino-3-[2-ethoxyethyl(methyl)amino]-N,N-dimethylbutanamide (CID 81059610) is 4-amino-3-[2-ethoxyethyl(methyl)amino]-N,N-dimethylbutanamide.
What is the SMILES notation for 4-amino-3-[2-ethoxyethyl(methyl)amino]-N,N-dimethylbutanamide?
The canonical SMILES for 4-amino-3-[2-ethoxyethyl(methyl)amino]-N,N-dimethylbutanamide is CCOCCN(C)C(CN)CC(=O)N(C)C.
What is the InChIKey of 4-amino-3-[2-ethoxyethyl(methyl)amino]-N,N-dimethylbutanamide?
The InChIKey is DJFJDGMALKLQOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3O2/c1-5-16-7-6-14(4)10(9-12)8-11(15)13(2)3/h10H,5-9,12H2,1-4H3.
What are the key properties of 4-amino-3-[2-ethoxyethyl(methyl)amino]-N,N-dimethylbutanamide?
4-amino-3-[2-ethoxyethyl(methyl)amino]-N,N-dimethylbutanamide has a molecular weight of 231.34 g/mol, XLogP of -0.24, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-[2-ethoxyethyl(methyl)amino]-N,N-dimethylbutanamide is sourced from PubChem (CID 81059610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).