4-amino-N,N-dibutyl-3-methoxybutanamide

C13H28N2O2 — CID 103154284

IUPAC4-amino-N,N-dibutyl-3-methoxybutanamide
SMILESCCCCN(CCCC)C(=O)CC(CN)OC
InChIInChI=1S/C13H28N2O2/c1-4-6-8-15(9-7-5-2)13(16)10-12(11-14)17-3/h12H,4-11,14H2,1-3H3
InChIKeyJJNAYFNQTUDKCR-UHFFFAOYSA-N
MW244.38 g/mol
LogP1.78
Rot. Bonds10

About 4-amino-N,N-dibutyl-3-methoxybutanamide

4-amino-N,N-dibutyl-3-methoxybutanamide (PubChem CID 103154284) has the molecular formula C13H28N2O2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 4-amino-N,N-dibutyl-3-methoxybutanamide.

Molecular Properties

Compound Name4-amino-N,N-dibutyl-3-methoxybutanamide
PubChem CID103154284
Molecular FormulaC13H28N2O2
Molecular Weight244.38 g/mol
Exact Mass244.22
IUPAC Name4-amino-N,N-dibutyl-3-methoxybutanamide
SMILESCCCCN(CCCC)C(=O)CC(CN)OC
InChIInChI=1S/C13H28N2O2/c1-4-6-8-15(9-7-5-2)13(16)10-12(11-14)17-3/h12H,4-11,14H2,1-3H3
InChIKeyJJNAYFNQTUDKCR-UHFFFAOYSA-N
XLogP1.78
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-butyl-3-methoxy-N-(2,2,2-trifluoroethyl)butanamide
CID 103155146
4-amino-N-butyl-3-methoxy-N-(2,2,2-trifluoroethyl)butanamide;hydrochloride
CID 120589296
4-amino-3-methoxy-N,N-bis(2-methoxyethyl)butanamide;hydrochloride
CID 120586450
4-amino-N-(2,2-difluoroethyl)-3-methoxy-N-propylbutanamide;hydrochloride
CID 120591084
4-amino-N-(2-amino-2-oxoethyl)-N-ethyl-3-methoxybutanamide
CID 103156901
4-amino-N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-methoxybutanamide
CID 103156201
4-amino-N-benzyl-3-methoxy-N-propylbutanamide;hydrochloride
CID 120586847
heptyl 4-amino-3-methoxybutanoate
CID 103158108
4-amino-N-(2-hydroxyethyl)-3-methoxy-N-(2,2,2-trifluoroethyl)butanamide
CID 103155309
4-amino-N-(2,2-difluoroethyl)-3-methoxy-N-(2-methoxyethyl)butanamide;hydrochloride
CID 120591334
4-amino-N-ethyl-3-methoxy-N-(2-phenylethyl)butanamide;hydrochloride
CID 120589443
4-amino-N-[(4-cyanophenyl)methyl]-3-methoxy-N-propylbutanamide
CID 103155115

Frequently Asked Questions

What is the IUPAC name of 4-amino-N,N-dibutyl-3-methoxybutanamide?
The IUPAC name of 4-amino-N,N-dibutyl-3-methoxybutanamide (CID 103154284) is 4-amino-N,N-dibutyl-3-methoxybutanamide.
What is the SMILES notation for 4-amino-N,N-dibutyl-3-methoxybutanamide?
The canonical SMILES for 4-amino-N,N-dibutyl-3-methoxybutanamide is CCCCN(CCCC)C(=O)CC(CN)OC.
What is the InChIKey of 4-amino-N,N-dibutyl-3-methoxybutanamide?
The InChIKey is JJNAYFNQTUDKCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2/c1-4-6-8-15(9-7-5-2)13(16)10-12(11-14)17-3/h12H,4-11,14H2,1-3H3.
What are the key properties of 4-amino-N,N-dibutyl-3-methoxybutanamide?
4-amino-N,N-dibutyl-3-methoxybutanamide has a molecular weight of 244.38 g/mol, XLogP of 1.78, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N,N-dibutyl-3-methoxybutanamide is sourced from PubChem (CID 103154284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).