4-amino-N-ethyl-3-methoxy-N-naphthalen-1-ylbutanamide

C17H22N2O2 — CID 103154156

IUPAC4-amino-N-ethyl-3-methoxy-N-naphthalen-1-ylbutanamide
SMILESCCN(C(=O)CC(CN)OC)c1cccc2ccccc12
InChIInChI=1S/C17H22N2O2/c1-3-19(17(20)11-14(12-18)21-2)16-10-6-8-13-7-4-5-9-15(13)16/h4-10,14H,3,11-12,18H2,1-2H3
InChIKeyJJAFZOIZOGZOKW-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.56
Rot. Bonds6

About 4-amino-N-ethyl-3-methoxy-N-naphthalen-1-ylbutanamide

4-amino-N-ethyl-3-methoxy-N-naphthalen-1-ylbutanamide (PubChem CID 103154156) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 4-amino-N-ethyl-3-methoxy-N-naphthalen-1-ylbutanamide.

Molecular Properties

Compound Name4-amino-N-ethyl-3-methoxy-N-naphthalen-1-ylbutanamide
PubChem CID103154156
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name4-amino-N-ethyl-3-methoxy-N-naphthalen-1-ylbutanamide
SMILESCCN(C(=O)CC(CN)OC)c1cccc2ccccc12
InChIInChI=1S/C17H22N2O2/c1-3-19(17(20)11-14(12-18)21-2)16-10-6-8-13-7-4-5-9-15(13)16/h4-10,14H,3,11-12,18H2,1-2H3
InChIKeyJJAFZOIZOGZOKW-UHFFFAOYSA-N
XLogP2.56
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.56
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-naphthalen-1-ylbutanamide?
The IUPAC name of 4-amino-N-ethyl-3-methoxy-N-naphthalen-1-ylbutanamide (CID 103154156) is 4-amino-N-ethyl-3-methoxy-N-naphthalen-1-ylbutanamide.
What is the SMILES notation for 4-amino-N-ethyl-3-methoxy-N-naphthalen-1-ylbutanamide?
The canonical SMILES for 4-amino-N-ethyl-3-methoxy-N-naphthalen-1-ylbutanamide is CCN(C(=O)CC(CN)OC)c1cccc2ccccc12.
What is the InChIKey of 4-amino-N-ethyl-3-methoxy-N-naphthalen-1-ylbutanamide?
The InChIKey is JJAFZOIZOGZOKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-3-19(17(20)11-14(12-18)21-2)16-10-6-8-13-7-4-5-9-15(13)16/h4-10,14H,3,11-12,18H2,1-2H3.
What are the key properties of 4-amino-N-ethyl-3-methoxy-N-naphthalen-1-ylbutanamide?
4-amino-N-ethyl-3-methoxy-N-naphthalen-1-ylbutanamide has a molecular weight of 286.38 g/mol, XLogP of 2.56, 6 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-naphthalen-1-ylbutanamide is sourced from PubChem (CID 103154156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).