4-amino-N-ethyl-3-methoxy-N-methylbutanamide

C8H18N2O2 — CID 103154307

IUPAC4-amino-N-ethyl-3-methoxy-N-methylbutanamide
SMILESCCN(C)C(=O)CC(CN)OC
InChIInChI=1S/C8H18N2O2/c1-4-10(2)8(11)5-7(6-9)12-3/h7H,4-6,9H2,1-3H3
InChIKeyYSUAMDBRLNGNMK-UHFFFAOYSA-N
MW174.24 g/mol
LogP-0.17
Rot. Bonds5

About 4-amino-N-ethyl-3-methoxy-N-methylbutanamide

4-amino-N-ethyl-3-methoxy-N-methylbutanamide (PubChem CID 103154307) has the molecular formula C8H18N2O2 and a molecular weight of 174.24 g/mol. Its IUPAC name is 4-amino-N-ethyl-3-methoxy-N-methylbutanamide.

Molecular Properties

Compound Name4-amino-N-ethyl-3-methoxy-N-methylbutanamide
PubChem CID103154307
Molecular FormulaC8H18N2O2
Molecular Weight174.24 g/mol
Exact Mass174.14
IUPAC Name4-amino-N-ethyl-3-methoxy-N-methylbutanamide
SMILESCCN(C)C(=O)CC(CN)OC
InChIInChI=1S/C8H18N2O2/c1-4-10(2)8(11)5-7(6-9)12-3/h7H,4-6,9H2,1-3H3
InChIKeyYSUAMDBRLNGNMK-UHFFFAOYSA-N
XLogP-0.17
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 5-0.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-ethyl-3-methoxy-N-methylbutanamide?
The IUPAC name of 4-amino-N-ethyl-3-methoxy-N-methylbutanamide (CID 103154307) is 4-amino-N-ethyl-3-methoxy-N-methylbutanamide.
What is the SMILES notation for 4-amino-N-ethyl-3-methoxy-N-methylbutanamide?
The canonical SMILES for 4-amino-N-ethyl-3-methoxy-N-methylbutanamide is CCN(C)C(=O)CC(CN)OC.
What is the InChIKey of 4-amino-N-ethyl-3-methoxy-N-methylbutanamide?
The InChIKey is YSUAMDBRLNGNMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O2/c1-4-10(2)8(11)5-7(6-9)12-3/h7H,4-6,9H2,1-3H3.
What are the key properties of 4-amino-N-ethyl-3-methoxy-N-methylbutanamide?
4-amino-N-ethyl-3-methoxy-N-methylbutanamide has a molecular weight of 174.24 g/mol, XLogP of -0.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-ethyl-3-methoxy-N-methylbutanamide is sourced from PubChem (CID 103154307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).