(2S)-2-[[2-(hydroxyamino)acetyl]amino]-N,N-dimethyl-2-phenylacetamide

C12H17N3O3 — CID 143355989

IUPAC(2S)-2-[[2-(hydroxyamino)acetyl]amino]-N,N-dimethyl-2-phenylacetamide
SMILESCN(C)C(=O)[C@@H](NC(=O)CNO)c1ccccc1
InChIInChI=1S/C12H17N3O3/c1-15(2)12(17)11(14-10(16)8-13-18)9-6-4-3-5-7-9/h3-7,11,13,18H,8H2,1-2H3,(H,14,16)/t11-/m0/s1
InChIKeyPGRQLBANXBWGLR-NSHDSACASA-N
MW251.29 g/mol
LogP-0.09
Rot. Bonds5

About (2S)-2-[[2-(hydroxyamino)acetyl]amino]-N,N-dimethyl-2-phenylacetamide

(2S)-2-[[2-(hydroxyamino)acetyl]amino]-N,N-dimethyl-2-phenylacetamide (PubChem CID 143355989) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is (2S)-2-[[2-(hydroxyamino)acetyl]amino]-N,N-dimethyl-2-phenylacetamide.

Molecular Properties

Compound Name(2S)-2-[[2-(hydroxyamino)acetyl]amino]-N,N-dimethyl-2-phenylacetamide
PubChem CID143355989
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Name(2S)-2-[[2-(hydroxyamino)acetyl]amino]-N,N-dimethyl-2-phenylacetamide
SMILESCN(C)C(=O)[C@@H](NC(=O)CNO)c1ccccc1
InChIInChI=1S/C12H17N3O3/c1-15(2)12(17)11(14-10(16)8-13-18)9-6-4-3-5-7-9/h3-7,11,13,18H,8H2,1-2H3,(H,14,16)/t11-/m0/s1
InChIKeyPGRQLBANXBWGLR-NSHDSACASA-N
XLogP-0.09
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 5-0.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(2-formamidoacetyl)amino]-N,N-dimethyl-2-phenylacetamide
CID 143314684
N'-[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]-N-(4-methylphenyl)propanediamide
CID 95130640
N-[2-[[2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]-3-formamido-2-oxopropanamide
CID 142091069
N,N-dimethyl-2-phenyl-2-(propylamino)acetamide
CID 142268246
(2S)-2-[[(2S)-2-methoxy-2-phenylacetyl]amino]-N,N-dimethyl-2-phenylacetamide
CID 99853132
3-amino-N-[2-[[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]-2-hydroxyheptanamide
CID 59907004
N-[2-[[2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]-6,6-difluoro-3-(methylamino)-2-oxohexanamide
CID 143315083
(4R)-6-amino-N-[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]-4,5-dihydroxynonanamide
CID 58263305
3-amino-4-cyclopropyl-N-[2-[[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]-2-hydroxybutanamide;hydrochloride
CID 11661558
N-[(1S)-2-(diethylamino)-2-oxo-1-phenylethyl]butanamide
CID 110287066
N,N-dimethyl-2,2-diphenylacetamide
CID 19693860
ethane;2-phenyl-2-(propanoylamino)acetic acid
CID 169177605

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[2-(hydroxyamino)acetyl]amino]-N,N-dimethyl-2-phenylacetamide?
The IUPAC name of (2S)-2-[[2-(hydroxyamino)acetyl]amino]-N,N-dimethyl-2-phenylacetamide (CID 143355989) is (2S)-2-[[2-(hydroxyamino)acetyl]amino]-N,N-dimethyl-2-phenylacetamide.
What is the SMILES notation for (2S)-2-[[2-(hydroxyamino)acetyl]amino]-N,N-dimethyl-2-phenylacetamide?
The canonical SMILES for (2S)-2-[[2-(hydroxyamino)acetyl]amino]-N,N-dimethyl-2-phenylacetamide is CN(C)C(=O)[C@@H](NC(=O)CNO)c1ccccc1.
What is the InChIKey of (2S)-2-[[2-(hydroxyamino)acetyl]amino]-N,N-dimethyl-2-phenylacetamide?
The InChIKey is PGRQLBANXBWGLR-NSHDSACASA-N. The full InChI is InChI=1S/C12H17N3O3/c1-15(2)12(17)11(14-10(16)8-13-18)9-6-4-3-5-7-9/h3-7,11,13,18H,8H2,1-2H3,(H,14,16)/t11-/m0/s1.
What are the key properties of (2S)-2-[[2-(hydroxyamino)acetyl]amino]-N,N-dimethyl-2-phenylacetamide?
(2S)-2-[[2-(hydroxyamino)acetyl]amino]-N,N-dimethyl-2-phenylacetamide has a molecular weight of 251.29 g/mol, XLogP of -0.09, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[2-(hydroxyamino)acetyl]amino]-N,N-dimethyl-2-phenylacetamide is sourced from PubChem (CID 143355989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).