N'-(2-amino-4-methylphenyl)-N-(2-hydroxypropyl)oxamide

C12H17N3O3 — CID 108521402

IUPACN'-(2-amino-4-methylphenyl)-N-(2-hydroxypropyl)oxamide
SMILESCc1ccc(NC(=O)C(=O)NCC(C)O)c(N)c1
InChIInChI=1S/C12H17N3O3/c1-7-3-4-10(9(13)5-7)15-12(18)11(17)14-6-8(2)16/h3-5,8,16H,6,13H2,1-2H3,(H,14,17)(H,15,18)
InChIKeyJZZFMRZVIFYLGO-UHFFFAOYSA-N
MW251.29 g/mol
LogP0.01
Rot. Bonds3

About N'-(2-amino-4-methylphenyl)-N-(2-hydroxypropyl)oxamide

N'-(2-amino-4-methylphenyl)-N-(2-hydroxypropyl)oxamide (PubChem CID 108521402) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is N'-(2-amino-4-methylphenyl)-N-(2-hydroxypropyl)oxamide.

Molecular Properties

Compound NameN'-(2-amino-4-methylphenyl)-N-(2-hydroxypropyl)oxamide
PubChem CID108521402
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC NameN'-(2-amino-4-methylphenyl)-N-(2-hydroxypropyl)oxamide
SMILESCc1ccc(NC(=O)C(=O)NCC(C)O)c(N)c1
InChIInChI=1S/C12H17N3O3/c1-7-3-4-10(9(13)5-7)15-12(18)11(17)14-6-8(2)16/h3-5,8,16H,6,13H2,1-2H3,(H,14,17)(H,15,18)
InChIKeyJZZFMRZVIFYLGO-UHFFFAOYSA-N
XLogP0.01
TPSA104.45 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 50.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-(2,4-dimethylphenyl)-N-[(2S)-2-hydroxypropyl]oxamide
CID 7033220
N'-(4-amino-2-chlorophenyl)-N-(2-hydroxypropyl)oxamide
CID 108516000
N'-(2-fluoro-4-methylphenyl)-N-(4-hydroxy-2-methylpentyl)oxamide
CID 111456252
N-(2-hydroxypropyl)-N'-(4-iodo-2-methylphenyl)oxamide
CID 47225790
(2R)-N-(2-amino-4-methylphenyl)-2-methylbutanamide
CID 40788863
N'-(2-fluoro-4-methylphenyl)-N-(3-hydroxybutyl)oxamide
CID 111337534
N-(2-amino-4-methylphenyl)-N'-(2,4-dichlorophenyl)oxamide
CID 108502956
N-(2-amino-4-methylphenyl)-N'-(1-hydroxy-2-methylpropan-2-yl)oxamide
CID 108532766
N'-(2-amino-4-methylphenyl)-N-(pyridin-2-ylmethyl)oxamide
CID 108518419
N'-(2,3-dimethylphenyl)-N-[(2S)-2-hydroxypropyl]oxamide
CID 2223011
N-(2-amino-4-methylphenyl)-3-methylpentanamide
CID 114873461
N-(2-amino-4-methylphenyl)-2-propan-2-ylsulfinylacetamide
CID 61289452

Frequently Asked Questions

What is the IUPAC name of N'-(2-amino-4-methylphenyl)-N-(2-hydroxypropyl)oxamide?
The IUPAC name of N'-(2-amino-4-methylphenyl)-N-(2-hydroxypropyl)oxamide (CID 108521402) is N'-(2-amino-4-methylphenyl)-N-(2-hydroxypropyl)oxamide.
What is the SMILES notation for N'-(2-amino-4-methylphenyl)-N-(2-hydroxypropyl)oxamide?
The canonical SMILES for N'-(2-amino-4-methylphenyl)-N-(2-hydroxypropyl)oxamide is Cc1ccc(NC(=O)C(=O)NCC(C)O)c(N)c1.
What is the InChIKey of N'-(2-amino-4-methylphenyl)-N-(2-hydroxypropyl)oxamide?
The InChIKey is JZZFMRZVIFYLGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-7-3-4-10(9(13)5-7)15-12(18)11(17)14-6-8(2)16/h3-5,8,16H,6,13H2,1-2H3,(H,14,17)(H,15,18).
What are the key properties of N'-(2-amino-4-methylphenyl)-N-(2-hydroxypropyl)oxamide?
N'-(2-amino-4-methylphenyl)-N-(2-hydroxypropyl)oxamide has a molecular weight of 251.29 g/mol, XLogP of 0.01, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-amino-4-methylphenyl)-N-(2-hydroxypropyl)oxamide is sourced from PubChem (CID 108521402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).