4-amino-N,N-bis(2-ethoxyethyl)-3-methylbutanamide

C13H28N2O3 — CID 82964992

IUPAC4-amino-N,N-bis(2-ethoxyethyl)-3-methylbutanamide
SMILESCCOCCN(CCOCC)C(=O)CC(C)CN
InChIInChI=1S/C13H28N2O3/c1-4-17-8-6-15(7-9-18-5-2)13(16)10-12(3)11-14/h12H,4-11,14H2,1-3H3
InChIKeyWQDYISDATYONQB-UHFFFAOYSA-N
MW260.38 g/mol
LogP0.87
Rot. Bonds11

About 4-amino-N,N-bis(2-ethoxyethyl)-3-methylbutanamide

4-amino-N,N-bis(2-ethoxyethyl)-3-methylbutanamide (PubChem CID 82964992) has the molecular formula C13H28N2O3 and a molecular weight of 260.38 g/mol. Its IUPAC name is 4-amino-N,N-bis(2-ethoxyethyl)-3-methylbutanamide.

Molecular Properties

Compound Name4-amino-N,N-bis(2-ethoxyethyl)-3-methylbutanamide
PubChem CID82964992
Molecular FormulaC13H28N2O3
Molecular Weight260.38 g/mol
Exact Mass260.21
IUPAC Name4-amino-N,N-bis(2-ethoxyethyl)-3-methylbutanamide
SMILESCCOCCN(CCOCC)C(=O)CC(C)CN
InChIInChI=1S/C13H28N2O3/c1-4-17-8-6-15(7-9-18-5-2)13(16)10-12(3)11-14/h12H,4-11,14H2,1-3H3
InChIKeyWQDYISDATYONQB-UHFFFAOYSA-N
XLogP0.87
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
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

4-amino-3-methyl-N,N-dipropylbutanamide
CID 81070980
3-amino-N,N-bis(2-ethoxyethyl)pentanamide
CID 82966276
6-amino-N,N-bis(2-ethoxyethyl)-4-methylhexanamide
CID 82966076
4-amino-N,N-bis(2-cyanoethyl)-3-methylbutanamide
CID 81087572
1,1,3,3-tetrakis(2-ethoxyethyl)urea
CID 54341985
(2R)-2-amino-N,N-bis(2-ethoxyethyl)-3-methylbutanamide
CID 82966284
4-amino-3-methyl-N,N-bis(prop-2-enyl)butanamide
CID 81070887
ethyl 3-[bis(2-ethoxyethyl)amino]butanoate
CID 82951064
(2R)-2-amino-N-(2-ethoxyethyl)-N-ethyl-3-methylbutanamide
CID 79013546
N,N-bis(2-ethoxyethyl)-2-(N'-hydroxycarbamimidoyl)-3-methylbutanamide
CID 82938492
4-amino-N-butan-2-yl-N,3-dimethylbutanamide
CID 81072119
4-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-methylbutanamide
CID 107479371

Frequently Asked Questions

What is the IUPAC name of 4-amino-N,N-bis(2-ethoxyethyl)-3-methylbutanamide?
The IUPAC name of 4-amino-N,N-bis(2-ethoxyethyl)-3-methylbutanamide (CID 82964992) is 4-amino-N,N-bis(2-ethoxyethyl)-3-methylbutanamide.
What is the SMILES notation for 4-amino-N,N-bis(2-ethoxyethyl)-3-methylbutanamide?
The canonical SMILES for 4-amino-N,N-bis(2-ethoxyethyl)-3-methylbutanamide is CCOCCN(CCOCC)C(=O)CC(C)CN.
What is the InChIKey of 4-amino-N,N-bis(2-ethoxyethyl)-3-methylbutanamide?
The InChIKey is WQDYISDATYONQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O3/c1-4-17-8-6-15(7-9-18-5-2)13(16)10-12(3)11-14/h12H,4-11,14H2,1-3H3.
What are the key properties of 4-amino-N,N-bis(2-ethoxyethyl)-3-methylbutanamide?
4-amino-N,N-bis(2-ethoxyethyl)-3-methylbutanamide has a molecular weight of 260.38 g/mol, XLogP of 0.87, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N,N-bis(2-ethoxyethyl)-3-methylbutanamide is sourced from PubChem (CID 82964992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).