4-amino-2-[2-(1-methoxypropan-2-ylamino)-2-oxoethoxy]benzamide

C13H19N3O4 — CID 106955522

IUPAC4-amino-2-[2-(1-methoxypropan-2-ylamino)-2-oxoethoxy]benzamide
SMILESCOCC(C)NC(=O)COc1cc(N)ccc1C(N)=O
InChIInChI=1S/C13H19N3O4/c1-8(6-19-2)16-12(17)7-20-11-5-9(14)3-4-10(11)13(15)18/h3-5,8H,6-7,14H2,1-2H3,(H2,15,18)(H,16,17)
InChIKeyBWBSVLVMYAVURK-UHFFFAOYSA-N
MW281.31 g/mol
LogP-0.10
Rot. Bonds7

About 4-amino-2-[2-(1-methoxypropan-2-ylamino)-2-oxoethoxy]benzamide

4-amino-2-[2-(1-methoxypropan-2-ylamino)-2-oxoethoxy]benzamide (PubChem CID 106955522) has the molecular formula C13H19N3O4 and a molecular weight of 281.31 g/mol. Its IUPAC name is 4-amino-2-[2-(1-methoxypropan-2-ylamino)-2-oxoethoxy]benzamide.

Molecular Properties

Compound Name4-amino-2-[2-(1-methoxypropan-2-ylamino)-2-oxoethoxy]benzamide
PubChem CID106955522
Molecular FormulaC13H19N3O4
Molecular Weight281.31 g/mol
Exact Mass281.14
IUPAC Name4-amino-2-[2-(1-methoxypropan-2-ylamino)-2-oxoethoxy]benzamide
SMILESCOCC(C)NC(=O)COc1cc(N)ccc1C(N)=O
InChIInChI=1S/C13H19N3O4/c1-8(6-19-2)16-12(17)7-20-11-5-9(14)3-4-10(11)13(15)18/h3-5,8H,6-7,14H2,1-2H3,(H2,15,18)(H,16,17)
InChIKeyBWBSVLVMYAVURK-UHFFFAOYSA-N
XLogP-0.10
TPSA116.67 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 5-0.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(4-amino-2-fluorophenoxy)-N-(1-methoxypropan-2-yl)acetamide
CID 54957165
2-(2-acetyl-5-methylphenoxy)-N-(1-methoxypropan-2-yl)acetamide
CID 60701152
4-amino-2-[3-oxo-3-(propan-2-ylamino)propoxy]benzamide
CID 106955525
4-amino-2-(2-hydroxypropoxy)benzamide
CID 106955593
4-amino-2-[2-(3-methylbutan-2-ylamino)-2-oxoethoxy]benzoic acid
CID 106954921
4-amino-2-[2-(butylamino)-2-oxoethoxy]benzamide
CID 106955557
2-(4-amino-2,5-difluorophenoxy)-N-(1-methoxypropan-2-yl)acetamide
CID 63598301
2-[2-[(1S)-1-aminoethyl]-5-methoxyphenoxy]-N-(1-methoxypropan-2-yl)acetamide
CID 82000074
2-[4-(2-aminoethyl)-2-methoxyphenoxy]-N-(1-methoxypropan-2-yl)acetamide
CID 61488137
N-[(2R)-1-methoxypropan-2-yl]-2-(2,4,5-trichlorophenoxy)acetamide
CID 7832745
4-methyl-2-[2-(3-methylbutan-2-ylamino)-2-oxoethoxy]benzamide
CID 46681501
5-amino-2-[2-oxo-2-(pentan-3-ylamino)ethoxy]benzamide
CID 106956198

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-[2-(1-methoxypropan-2-ylamino)-2-oxoethoxy]benzamide?
The IUPAC name of 4-amino-2-[2-(1-methoxypropan-2-ylamino)-2-oxoethoxy]benzamide (CID 106955522) is 4-amino-2-[2-(1-methoxypropan-2-ylamino)-2-oxoethoxy]benzamide.
What is the SMILES notation for 4-amino-2-[2-(1-methoxypropan-2-ylamino)-2-oxoethoxy]benzamide?
The canonical SMILES for 4-amino-2-[2-(1-methoxypropan-2-ylamino)-2-oxoethoxy]benzamide is COCC(C)NC(=O)COc1cc(N)ccc1C(N)=O.
What is the InChIKey of 4-amino-2-[2-(1-methoxypropan-2-ylamino)-2-oxoethoxy]benzamide?
The InChIKey is BWBSVLVMYAVURK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O4/c1-8(6-19-2)16-12(17)7-20-11-5-9(14)3-4-10(11)13(15)18/h3-5,8H,6-7,14H2,1-2H3,(H2,15,18)(H,16,17).
What are the key properties of 4-amino-2-[2-(1-methoxypropan-2-ylamino)-2-oxoethoxy]benzamide?
4-amino-2-[2-(1-methoxypropan-2-ylamino)-2-oxoethoxy]benzamide has a molecular weight of 281.31 g/mol, XLogP of -0.10, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-[2-(1-methoxypropan-2-ylamino)-2-oxoethoxy]benzamide is sourced from PubChem (CID 106955522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).