4-amino-N-ethyl-3-(3-methoxyphenyl)butanamide

C13H20N2O2 — CID 112511303

IUPAC4-amino-N-ethyl-3-(3-methoxyphenyl)butanamide
SMILESCCNC(=O)CC(CN)c1cccc(OC)c1
InChIInChI=1S/C13H20N2O2/c1-3-15-13(16)8-11(9-14)10-5-4-6-12(7-10)17-2/h4-7,11H,3,8-9,14H2,1-2H3,(H,15,16)
InChIKeyHJENVMQWSSDKJL-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.26
Rot. Bonds6

About 4-amino-N-ethyl-3-(3-methoxyphenyl)butanamide

4-amino-N-ethyl-3-(3-methoxyphenyl)butanamide (PubChem CID 112511303) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 4-amino-N-ethyl-3-(3-methoxyphenyl)butanamide.

Molecular Properties

Compound Name4-amino-N-ethyl-3-(3-methoxyphenyl)butanamide
PubChem CID112511303
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name4-amino-N-ethyl-3-(3-methoxyphenyl)butanamide
SMILESCCNC(=O)CC(CN)c1cccc(OC)c1
InChIInChI=1S/C13H20N2O2/c1-3-15-13(16)8-11(9-14)10-5-4-6-12(7-10)17-2/h4-7,11H,3,8-9,14H2,1-2H3,(H,15,16)
InChIKeyHJENVMQWSSDKJL-UHFFFAOYSA-N
XLogP1.26
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-3-(3-ethoxyphenyl)-N-ethylpropanamide
CID 112508347
3-fluoro-2-(3-methoxyphenyl)propan-1-amine
CID 83817226
3-(3-methoxyphenyl)-5-(methylamino)-5-oxopentanoic acid
CID 112511466
N-[2-(ethylamino)ethyl]-3-(3-methoxyphenyl)butanamide
CID 119508296
2-(aminomethyl)-4-(3-methoxyphenyl)hexanoic acid
CID 69269480
2-(3-methoxyphenyl)-3-methylsulfonylpropan-1-amine
CID 117242945
ethyl 3-(ethylamino)-3-(3-methoxyphenyl)propanoate
CID 65233774
4-[3-amino-2-(3-methoxyphenyl)propyl]benzoic acid
CID 82139721
3-(3-methoxyphenyl)-3-(propanoylamino)propanoic acid
CID 112508887
3-amino-N-[2-(3-methoxyphenyl)ethyl]-3-phenylpropanamide
CID 119949515
2-(3-methoxyphenyl)-2-(methylamino)acetamide
CID 60797274
3-cyano-3-(3-methoxyphenyl)-N-prop-2-enylpropanamide
CID 112511360

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-ethyl-3-(3-methoxyphenyl)butanamide?
The IUPAC name of 4-amino-N-ethyl-3-(3-methoxyphenyl)butanamide (CID 112511303) is 4-amino-N-ethyl-3-(3-methoxyphenyl)butanamide.
What is the SMILES notation for 4-amino-N-ethyl-3-(3-methoxyphenyl)butanamide?
The canonical SMILES for 4-amino-N-ethyl-3-(3-methoxyphenyl)butanamide is CCNC(=O)CC(CN)c1cccc(OC)c1.
What is the InChIKey of 4-amino-N-ethyl-3-(3-methoxyphenyl)butanamide?
The InChIKey is HJENVMQWSSDKJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-3-15-13(16)8-11(9-14)10-5-4-6-12(7-10)17-2/h4-7,11H,3,8-9,14H2,1-2H3,(H,15,16).
What are the key properties of 4-amino-N-ethyl-3-(3-methoxyphenyl)butanamide?
4-amino-N-ethyl-3-(3-methoxyphenyl)butanamide has a molecular weight of 236.31 g/mol, XLogP of 1.26, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-ethyl-3-(3-methoxyphenyl)butanamide is sourced from PubChem (CID 112511303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).