4-amino-N-[2-[(1-hydroxy-3-methoxypropan-2-yl)amino]-2-oxoethyl]benzamide

C13H19N3O4 — CID 106188719

IUPAC4-amino-N-[2-[(1-hydroxy-3-methoxypropan-2-yl)amino]-2-oxoethyl]benzamide
SMILESCOCC(CO)NC(=O)CNC(=O)c1ccc(N)cc1
InChIInChI=1S/C13H19N3O4/c1-20-8-11(7-17)16-12(18)6-15-13(19)9-2-4-10(14)5-3-9/h2-5,11,17H,6-8,14H2,1H3,(H,15,19)(H,16,18)
InChIKeyARMZFMAQPNRIFS-UHFFFAOYSA-N
MW281.31 g/mol
LogP-0.88
Rot. Bonds7

About 4-amino-N-[2-[(1-hydroxy-3-methoxypropan-2-yl)amino]-2-oxoethyl]benzamide

4-amino-N-[2-[(1-hydroxy-3-methoxypropan-2-yl)amino]-2-oxoethyl]benzamide (PubChem CID 106188719) has the molecular formula C13H19N3O4 and a molecular weight of 281.31 g/mol. Its IUPAC name is 4-amino-N-[2-[(1-hydroxy-3-methoxypropan-2-yl)amino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name4-amino-N-[2-[(1-hydroxy-3-methoxypropan-2-yl)amino]-2-oxoethyl]benzamide
PubChem CID106188719
Molecular FormulaC13H19N3O4
Molecular Weight281.31 g/mol
Exact Mass281.14
IUPAC Name4-amino-N-[2-[(1-hydroxy-3-methoxypropan-2-yl)amino]-2-oxoethyl]benzamide
SMILESCOCC(CO)NC(=O)CNC(=O)c1ccc(N)cc1
InChIInChI=1S/C13H19N3O4/c1-20-8-11(7-17)16-12(18)6-15-13(19)9-2-4-10(14)5-3-9/h2-5,11,17H,6-8,14H2,1H3,(H,15,19)(H,16,18)
InChIKeyARMZFMAQPNRIFS-UHFFFAOYSA-N
XLogP-0.88
TPSA113.68 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 5-0.88
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-[2-(1,3-dihydroxypropan-2-ylamino)-2-oxoethyl]benzamide
CID 65314150
4-amino-N-[2-(4-hydroxybutan-2-ylamino)-2-oxoethyl]benzamide
CID 83177077
(2R)-2-[[2-[(4-aminobenzoyl)amino]acetyl]amino]-3-hydroxypropanoic acid
CID 80751377
N-(1-hydroxy-3-methoxypropan-2-yl)-4-methoxybenzamide
CID 114078956
4-amino-N-[2-(2-methoxypropylamino)-2-oxoethyl]benzamide
CID 102695091
4-chloro-N-[2-[[(2S)-1-methoxypropan-2-yl]amino]-2-oxoethyl]benzamide
CID 40897930
2-(4-aminoanilino)-3-methoxypropan-1-ol
CID 106183923
4-bromo-N-[2-[[(2R)-1-hydroxybutan-2-yl]amino]-2-oxoethyl]benzamide
CID 104868922
2-[[2-[(4-aminobenzoyl)amino]acetyl]amino]butanoic acid
CID 61161200
4-amino-N-[2-(ethylamino)-2-oxoethyl]benzamide;hydrochloride
CID 119689751
3,4-difluoro-N-(1-hydroxy-3-methoxypropan-2-yl)benzamide
CID 114078926
4-amino-N-[2-(tert-butylamino)-2-oxoethyl]benzamide
CID 24710255

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-[(1-hydroxy-3-methoxypropan-2-yl)amino]-2-oxoethyl]benzamide?
The IUPAC name of 4-amino-N-[2-[(1-hydroxy-3-methoxypropan-2-yl)amino]-2-oxoethyl]benzamide (CID 106188719) is 4-amino-N-[2-[(1-hydroxy-3-methoxypropan-2-yl)amino]-2-oxoethyl]benzamide.
What is the SMILES notation for 4-amino-N-[2-[(1-hydroxy-3-methoxypropan-2-yl)amino]-2-oxoethyl]benzamide?
The canonical SMILES for 4-amino-N-[2-[(1-hydroxy-3-methoxypropan-2-yl)amino]-2-oxoethyl]benzamide is COCC(CO)NC(=O)CNC(=O)c1ccc(N)cc1.
What is the InChIKey of 4-amino-N-[2-[(1-hydroxy-3-methoxypropan-2-yl)amino]-2-oxoethyl]benzamide?
The InChIKey is ARMZFMAQPNRIFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O4/c1-20-8-11(7-17)16-12(18)6-15-13(19)9-2-4-10(14)5-3-9/h2-5,11,17H,6-8,14H2,1H3,(H,15,19)(H,16,18).
What are the key properties of 4-amino-N-[2-[(1-hydroxy-3-methoxypropan-2-yl)amino]-2-oxoethyl]benzamide?
4-amino-N-[2-[(1-hydroxy-3-methoxypropan-2-yl)amino]-2-oxoethyl]benzamide has a molecular weight of 281.31 g/mol, XLogP of -0.88, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-[(1-hydroxy-3-methoxypropan-2-yl)amino]-2-oxoethyl]benzamide is sourced from PubChem (CID 106188719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).