2-(2-aminoethyl)-N-(3-methoxyphenyl)-3-methylbutanamide

C14H22N2O2 — CID 112516205

IUPAC2-(2-aminoethyl)-N-(3-methoxyphenyl)-3-methylbutanamide
SMILESCOc1cccc(NC(=O)C(CCN)C(C)C)c1
InChIInChI=1S/C14H22N2O2/c1-10(2)13(7-8-15)14(17)16-11-5-4-6-12(9-11)18-3/h4-6,9-10,13H,7-8,15H2,1-3H3,(H,16,17)
InChIKeyVZLXMLHJXAOZRR-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.25
Rot. Bonds6

About 2-(2-aminoethyl)-N-(3-methoxyphenyl)-3-methylbutanamide

2-(2-aminoethyl)-N-(3-methoxyphenyl)-3-methylbutanamide (PubChem CID 112516205) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 2-(2-aminoethyl)-N-(3-methoxyphenyl)-3-methylbutanamide.

Molecular Properties

Compound Name2-(2-aminoethyl)-N-(3-methoxyphenyl)-3-methylbutanamide
PubChem CID112516205
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name2-(2-aminoethyl)-N-(3-methoxyphenyl)-3-methylbutanamide
SMILESCOc1cccc(NC(=O)C(CCN)C(C)C)c1
InChIInChI=1S/C14H22N2O2/c1-10(2)13(7-8-15)14(17)16-11-5-4-6-12(9-11)18-3/h4-6,9-10,13H,7-8,15H2,1-3H3,(H,16,17)
InChIKeyVZLXMLHJXAOZRR-UHFFFAOYSA-N
XLogP2.25
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-hydroxy-N-(3-methoxyphenyl)propanamide
CID 82125804
(2S)-2-chloro-N-(3-methoxyphenyl)propanamide
CID 6591303
2-(2-aminoethyl)-N-(2-methoxyphenyl)-3-methylbutanamide
CID 112516204
5-amino-N-(3-methoxyphenyl)-4-methylpentanamide
CID 82682498
2,2-dichloro-N-(3-methoxyphenyl)acetamide
CID 5097021
2-amino-N-(3-methoxyphenyl)-4-methylsulfonylbutanamide
CID 24711240
2-bromo-N-(3-methoxyphenyl)butanamide
CID 50742538
4-hydroxy-N-(3-methoxyphenyl)pentanamide
CID 79017987
(2S)-N-(3-methoxyphenyl)-3-methyl-2-[(2-naphthalen-1-ylacetyl)amino]butanamide
CID 7999144
N-(4-acetylphenyl)-2-(2-aminoethyl)-3-methylbutanamide
CID 112516969
ethyl 2-(3-methoxyanilino)-3-methylbutanoate
CID 61317894
(2R)-2-(2-ethylphenoxy)-N-(3-methoxyphenyl)propanamide
CID 92671770

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-N-(3-methoxyphenyl)-3-methylbutanamide?
The IUPAC name of 2-(2-aminoethyl)-N-(3-methoxyphenyl)-3-methylbutanamide (CID 112516205) is 2-(2-aminoethyl)-N-(3-methoxyphenyl)-3-methylbutanamide.
What is the SMILES notation for 2-(2-aminoethyl)-N-(3-methoxyphenyl)-3-methylbutanamide?
The canonical SMILES for 2-(2-aminoethyl)-N-(3-methoxyphenyl)-3-methylbutanamide is COc1cccc(NC(=O)C(CCN)C(C)C)c1.
What is the InChIKey of 2-(2-aminoethyl)-N-(3-methoxyphenyl)-3-methylbutanamide?
The InChIKey is VZLXMLHJXAOZRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-10(2)13(7-8-15)14(17)16-11-5-4-6-12(9-11)18-3/h4-6,9-10,13H,7-8,15H2,1-3H3,(H,16,17).
What are the key properties of 2-(2-aminoethyl)-N-(3-methoxyphenyl)-3-methylbutanamide?
2-(2-aminoethyl)-N-(3-methoxyphenyl)-3-methylbutanamide has a molecular weight of 250.34 g/mol, XLogP of 2.25, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-N-(3-methoxyphenyl)-3-methylbutanamide is sourced from PubChem (CID 112516205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).