N-[2-[(3-amino-2-hydroxy-3-oxopropyl)amino]-2-oxoethyl]-N-methylbenzamide

C13H17N3O4 — CID 106164142

IUPACN-[2-[(3-amino-2-hydroxy-3-oxopropyl)amino]-2-oxoethyl]-N-methylbenzamide
SMILESCN(CC(=O)NCC(O)C(N)=O)C(=O)c1ccccc1
InChIInChI=1S/C13H17N3O4/c1-16(13(20)9-5-3-2-4-6-9)8-11(18)15-7-10(17)12(14)19/h2-6,10,17H,7-8H2,1H3,(H2,14,19)(H,15,18)
InChIKeyDWRZCBNOBKJCGN-UHFFFAOYSA-N
MW279.30 g/mol
LogP-1.28
Rot. Bonds6

About N-[2-[(3-amino-2-hydroxy-3-oxopropyl)amino]-2-oxoethyl]-N-methylbenzamide

N-[2-[(3-amino-2-hydroxy-3-oxopropyl)amino]-2-oxoethyl]-N-methylbenzamide (PubChem CID 106164142) has the molecular formula C13H17N3O4 and a molecular weight of 279.30 g/mol. Its IUPAC name is N-[2-[(3-amino-2-hydroxy-3-oxopropyl)amino]-2-oxoethyl]-N-methylbenzamide.

Molecular Properties

Compound NameN-[2-[(3-amino-2-hydroxy-3-oxopropyl)amino]-2-oxoethyl]-N-methylbenzamide
PubChem CID106164142
Molecular FormulaC13H17N3O4
Molecular Weight279.30 g/mol
Exact Mass279.12
IUPAC NameN-[2-[(3-amino-2-hydroxy-3-oxopropyl)amino]-2-oxoethyl]-N-methylbenzamide
SMILESCN(CC(=O)NCC(O)C(N)=O)C(=O)c1ccccc1
InChIInChI=1S/C13H17N3O4/c1-16(13(20)9-5-3-2-4-6-9)8-11(18)15-7-10(17)12(14)19/h2-6,10,17H,7-8H2,1H3,(H2,14,19)(H,15,18)
InChIKeyDWRZCBNOBKJCGN-UHFFFAOYSA-N
XLogP-1.28
TPSA112.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 5-1.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[2-[benzoyl(methyl)amino]acetyl]amino]-2-methoxypropanoic acid
CID 106107222
N-[2-[[2-(4-chlorophenyl)-2-hydroxyethyl]amino]-2-oxoethyl]-N-methylbenzamide
CID 110885729
N-methyl-N-[2-oxo-2-(propylamino)ethyl]benzamide
CID 60636554
2-hydroxy-3-[[2-[methyl(pyrimidin-2-yl)amino]acetyl]amino]propanamide
CID 106164955
ethyl 2-[[2-[benzoyl(methyl)amino]acetyl]amino]acetate
CID 47257628
N-[2-[(5-hydroxy-4-methylpentyl)amino]-2-oxoethyl]-N-methylbenzamide
CID 103862344
3-[[2-[benzoyl(methyl)amino]acetyl]amino]-2,2-dimethylpropanoic acid
CID 115427325
(2S)-2-[[2-[benzoyl(methyl)amino]acetyl]amino]-4-hydroxybutanoic acid
CID 107821764
N-[2-[[4-(carbamoylamino)phenyl]methylamino]-2-oxoethyl]-N-methylbenzamide
CID 86923192
N-[2-[[1-(hydroxymethyl)cyclopropyl]amino]-2-oxoethyl]-N-methylbenzamide
CID 115877489
N-(2-amino-2-hydroxyiminoethyl)-N-methylbenzamide
CID 76928946
2-hydroxy-3-[[2-(2-phenylethylsulfanyl)acetyl]amino]propanamide
CID 106164880

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-amino-2-hydroxy-3-oxopropyl)amino]-2-oxoethyl]-N-methylbenzamide?
The IUPAC name of N-[2-[(3-amino-2-hydroxy-3-oxopropyl)amino]-2-oxoethyl]-N-methylbenzamide (CID 106164142) is N-[2-[(3-amino-2-hydroxy-3-oxopropyl)amino]-2-oxoethyl]-N-methylbenzamide.
What is the SMILES notation for N-[2-[(3-amino-2-hydroxy-3-oxopropyl)amino]-2-oxoethyl]-N-methylbenzamide?
The canonical SMILES for N-[2-[(3-amino-2-hydroxy-3-oxopropyl)amino]-2-oxoethyl]-N-methylbenzamide is CN(CC(=O)NCC(O)C(N)=O)C(=O)c1ccccc1.
What is the InChIKey of N-[2-[(3-amino-2-hydroxy-3-oxopropyl)amino]-2-oxoethyl]-N-methylbenzamide?
The InChIKey is DWRZCBNOBKJCGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O4/c1-16(13(20)9-5-3-2-4-6-9)8-11(18)15-7-10(17)12(14)19/h2-6,10,17H,7-8H2,1H3,(H2,14,19)(H,15,18).
What are the key properties of N-[2-[(3-amino-2-hydroxy-3-oxopropyl)amino]-2-oxoethyl]-N-methylbenzamide?
N-[2-[(3-amino-2-hydroxy-3-oxopropyl)amino]-2-oxoethyl]-N-methylbenzamide has a molecular weight of 279.30 g/mol, XLogP of -1.28, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-amino-2-hydroxy-3-oxopropyl)amino]-2-oxoethyl]-N-methylbenzamide is sourced from PubChem (CID 106164142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).