2-amino-N-(4-ethoxyphenyl)-4-methoxybutanamide

C13H20N2O3 — CID 55080527

IUPAC2-amino-N-(4-ethoxyphenyl)-4-methoxybutanamide
SMILESCCOc1ccc(NC(=O)C(N)CCOC)cc1
InChIInChI=1S/C13H20N2O3/c1-3-18-11-6-4-10(5-7-11)15-13(16)12(14)8-9-17-2/h4-7,12H,3,8-9,14H2,1-2H3,(H,15,16)
InChIKeyOWHKDXAOPPEYQH-UHFFFAOYSA-N
MW252.31 g/mol
LogP1.39
Rot. Bonds7

About 2-amino-N-(4-ethoxyphenyl)-4-methoxybutanamide

2-amino-N-(4-ethoxyphenyl)-4-methoxybutanamide (PubChem CID 55080527) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 2-amino-N-(4-ethoxyphenyl)-4-methoxybutanamide.

Molecular Properties

Compound Name2-amino-N-(4-ethoxyphenyl)-4-methoxybutanamide
PubChem CID55080527
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name2-amino-N-(4-ethoxyphenyl)-4-methoxybutanamide
SMILESCCOc1ccc(NC(=O)C(N)CCOC)cc1
InChIInChI=1S/C13H20N2O3/c1-3-18-11-6-4-10(5-7-11)15-13(16)12(14)8-9-17-2/h4-7,12H,3,8-9,14H2,1-2H3,(H,15,16)
InChIKeyOWHKDXAOPPEYQH-UHFFFAOYSA-N
XLogP1.39
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[4-(2-amino-2-oxoethoxy)phenyl]-4-methoxybutanamide
CID 62475184
2-amino-N-[4-(2-methoxyethoxy)phenyl]pentanamide;hydrochloride
CID 119289402
2-amino-N-(4-hydroxyphenyl)-4-methoxybutanamide
CID 62472832
2-amino-N-[4-(ethylsulfonylamino)phenyl]-4-methoxybutanamide
CID 62473931
4-[(2-amino-4-methoxybutanoyl)amino]-N-methylbenzamide
CID 55080716
2-amino-N-(4-ethoxyphenyl)-3-methylbutanamide;hydrochloride
CID 119261958
2-amino-4-methyl-N-(4-propoxyphenyl)pentanamide
CID 62329193
2-amino-5-methoxy-N-[4-(propanoylamino)phenyl]pentanamide
CID 81086454
methyl 2-[4-[(2-amino-3-methoxypropanoyl)amino]phenoxy]acetate
CID 81083437
methyl N-[4-[(2-amino-5-methoxypentanoyl)amino]phenyl]carbamate
CID 81071019
2-amino-N-(3-bromo-4-methylphenyl)-4-methoxybutanamide
CID 63334647
2-amino-4-methoxy-N-[4-(1,3-thiazol-2-yl)phenyl]butanamide
CID 62473394

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(4-ethoxyphenyl)-4-methoxybutanamide?
The IUPAC name of 2-amino-N-(4-ethoxyphenyl)-4-methoxybutanamide (CID 55080527) is 2-amino-N-(4-ethoxyphenyl)-4-methoxybutanamide.
What is the SMILES notation for 2-amino-N-(4-ethoxyphenyl)-4-methoxybutanamide?
The canonical SMILES for 2-amino-N-(4-ethoxyphenyl)-4-methoxybutanamide is CCOc1ccc(NC(=O)C(N)CCOC)cc1.
What is the InChIKey of 2-amino-N-(4-ethoxyphenyl)-4-methoxybutanamide?
The InChIKey is OWHKDXAOPPEYQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-3-18-11-6-4-10(5-7-11)15-13(16)12(14)8-9-17-2/h4-7,12H,3,8-9,14H2,1-2H3,(H,15,16).
What are the key properties of 2-amino-N-(4-ethoxyphenyl)-4-methoxybutanamide?
2-amino-N-(4-ethoxyphenyl)-4-methoxybutanamide has a molecular weight of 252.31 g/mol, XLogP of 1.39, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(4-ethoxyphenyl)-4-methoxybutanamide is sourced from PubChem (CID 55080527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).