2-amino-N-[4-(2-amino-2-oxoethoxy)phenyl]-4-methoxybutanamide

C13H19N3O4 — CID 62475184

IUPAC2-amino-N-[4-(2-amino-2-oxoethoxy)phenyl]-4-methoxybutanamide
SMILESCOCCC(N)C(=O)Nc1ccc(OCC(N)=O)cc1
InChIInChI=1S/C13H19N3O4/c1-19-7-6-11(14)13(18)16-9-2-4-10(5-3-9)20-8-12(15)17/h2-5,11H,6-8,14H2,1H3,(H2,15,17)(H,16,18)
InChIKeyXMWKRZBQULZJAD-UHFFFAOYSA-N
MW281.31 g/mol
LogP-0.15
Rot. Bonds8

About 2-amino-N-[4-(2-amino-2-oxoethoxy)phenyl]-4-methoxybutanamide

2-amino-N-[4-(2-amino-2-oxoethoxy)phenyl]-4-methoxybutanamide (PubChem CID 62475184) has the molecular formula C13H19N3O4 and a molecular weight of 281.31 g/mol. Its IUPAC name is 2-amino-N-[4-(2-amino-2-oxoethoxy)phenyl]-4-methoxybutanamide.

Molecular Properties

Compound Name2-amino-N-[4-(2-amino-2-oxoethoxy)phenyl]-4-methoxybutanamide
PubChem CID62475184
Molecular FormulaC13H19N3O4
Molecular Weight281.31 g/mol
Exact Mass281.14
IUPAC Name2-amino-N-[4-(2-amino-2-oxoethoxy)phenyl]-4-methoxybutanamide
SMILESCOCCC(N)C(=O)Nc1ccc(OCC(N)=O)cc1
InChIInChI=1S/C13H19N3O4/c1-19-7-6-11(14)13(18)16-9-2-4-10(5-3-9)20-8-12(15)17/h2-5,11H,6-8,14H2,1H3,(H2,15,17)(H,16,18)
InChIKeyXMWKRZBQULZJAD-UHFFFAOYSA-N
XLogP-0.15
TPSA116.67 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 5-0.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-(4-ethoxyphenyl)-4-methoxybutanamide
CID 55080527
(2S)-2-amino-N-[4-(2-amino-2-oxoethoxy)phenyl]butanamide;hydrochloride
CID 119281571
2-amino-N-(4-hydroxyphenyl)-4-methoxybutanamide
CID 62472832
2-amino-N-[4-(2-methoxyethoxy)phenyl]pentanamide;hydrochloride
CID 119289402
methyl 2-[4-[(2-amino-3-methoxypropanoyl)amino]phenoxy]acetate
CID 81083437
4-[(2-amino-4-methoxybutanoyl)amino]-N-methylbenzamide
CID 55080716
2-[4-[(2-methoxyacetyl)amino]phenoxy]acetamide
CID 47156560
2-amino-N-[4-(ethylsulfonylamino)phenyl]-4-methoxybutanamide
CID 62473931
N-[4-(2-amino-2-oxoethoxy)phenyl]-2-(2-methoxyethylamino)acetamide
CID 79281170
methyl N-[4-[(2-amino-5-methoxypentanoyl)amino]phenyl]carbamate
CID 81071019
3-amino-4-[4-(2-methoxy-2-oxoethoxy)anilino]-4-oxobutanoic acid
CID 64895687
2-amino-N-(3-bromo-4-methylphenyl)-4-methoxybutanamide
CID 63334647

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[4-(2-amino-2-oxoethoxy)phenyl]-4-methoxybutanamide?
The IUPAC name of 2-amino-N-[4-(2-amino-2-oxoethoxy)phenyl]-4-methoxybutanamide (CID 62475184) is 2-amino-N-[4-(2-amino-2-oxoethoxy)phenyl]-4-methoxybutanamide.
What is the SMILES notation for 2-amino-N-[4-(2-amino-2-oxoethoxy)phenyl]-4-methoxybutanamide?
The canonical SMILES for 2-amino-N-[4-(2-amino-2-oxoethoxy)phenyl]-4-methoxybutanamide is COCCC(N)C(=O)Nc1ccc(OCC(N)=O)cc1.
What is the InChIKey of 2-amino-N-[4-(2-amino-2-oxoethoxy)phenyl]-4-methoxybutanamide?
The InChIKey is XMWKRZBQULZJAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O4/c1-19-7-6-11(14)13(18)16-9-2-4-10(5-3-9)20-8-12(15)17/h2-5,11H,6-8,14H2,1H3,(H2,15,17)(H,16,18).
What are the key properties of 2-amino-N-[4-(2-amino-2-oxoethoxy)phenyl]-4-methoxybutanamide?
2-amino-N-[4-(2-amino-2-oxoethoxy)phenyl]-4-methoxybutanamide has a molecular weight of 281.31 g/mol, XLogP of -0.15, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[4-(2-amino-2-oxoethoxy)phenyl]-4-methoxybutanamide is sourced from PubChem (CID 62475184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).