N'-(2-carbamoylphenyl)-N-(3-hydroxypropyl)oxamide

C12H15N3O4 — CID 108524213

IUPACN'-(2-carbamoylphenyl)-N-(3-hydroxypropyl)oxamide
SMILESNC(=O)c1ccccc1NC(=O)C(=O)NCCCO
InChIInChI=1S/C12H15N3O4/c13-10(17)8-4-1-2-5-9(8)15-12(19)11(18)14-6-3-7-16/h1-2,4-5,16H,3,6-7H2,(H2,13,17)(H,14,18)(H,15,19)
InChIKeyWIGCZNJXQUFZBT-UHFFFAOYSA-N
MW265.27 g/mol
LogP-0.78
Rot. Bonds5

About N'-(2-carbamoylphenyl)-N-(3-hydroxypropyl)oxamide

N'-(2-carbamoylphenyl)-N-(3-hydroxypropyl)oxamide (PubChem CID 108524213) has the molecular formula C12H15N3O4 and a molecular weight of 265.27 g/mol. Its IUPAC name is N'-(2-carbamoylphenyl)-N-(3-hydroxypropyl)oxamide.

Molecular Properties

Compound NameN'-(2-carbamoylphenyl)-N-(3-hydroxypropyl)oxamide
PubChem CID108524213
Molecular FormulaC12H15N3O4
Molecular Weight265.27 g/mol
Exact Mass265.11
IUPAC NameN'-(2-carbamoylphenyl)-N-(3-hydroxypropyl)oxamide
SMILESNC(=O)c1ccccc1NC(=O)C(=O)NCCCO
InChIInChI=1S/C12H15N3O4/c13-10(17)8-4-1-2-5-9(8)15-12(19)11(18)14-6-3-7-16/h1-2,4-5,16H,3,6-7H2,(H2,13,17)(H,14,18)(H,15,19)
InChIKeyWIGCZNJXQUFZBT-UHFFFAOYSA-N
XLogP-0.78
TPSA121.52 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 5-0.78
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-(2-carbamoylphenyl)-N-[2-(2-hydroxyethoxy)ethyl]oxamide
CID 108524308
N-(3-hydroxypropyl)-N'-naphthalen-1-yloxamide
CID 3102414
2-[[2-(2-hydroxyethylamino)-2-oxoacetyl]amino]benzoic acid
CID 4026783
N-(3-hydroxypropyl)-N'-(2-propylphenyl)oxamide
CID 47224610
N'-(2-carbamoylphenyl)-N-(2-ethylphenyl)oxamide
CID 108529346
N'-(2,3-dichlorophenyl)-N-(3-hydroxypropyl)oxamide
CID 2266325
methyl 2-[[2-(2-hydroxyethylamino)-2-oxoacetyl]amino]benzoate
CID 108512450
N'-(2-carbamoylphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]oxamide
CID 108506282
N'-(2-carbamoylphenyl)-N-(pyridin-2-ylmethyl)oxamide
CID 108518371
N'-(2-chloro-3-pyridinyl)-N-(3-hydroxypropyl)oxamide
CID 44999728
N-(2-carbamoylphenyl)-N'-propan-2-yloxamide
CID 108503318
N-(5-hydroxypentyl)-N'-(2-propan-2-ylphenyl)oxamide
CID 108500540

Frequently Asked Questions

What is the IUPAC name of N'-(2-carbamoylphenyl)-N-(3-hydroxypropyl)oxamide?
The IUPAC name of N'-(2-carbamoylphenyl)-N-(3-hydroxypropyl)oxamide (CID 108524213) is N'-(2-carbamoylphenyl)-N-(3-hydroxypropyl)oxamide.
What is the SMILES notation for N'-(2-carbamoylphenyl)-N-(3-hydroxypropyl)oxamide?
The canonical SMILES for N'-(2-carbamoylphenyl)-N-(3-hydroxypropyl)oxamide is NC(=O)c1ccccc1NC(=O)C(=O)NCCCO.
What is the InChIKey of N'-(2-carbamoylphenyl)-N-(3-hydroxypropyl)oxamide?
The InChIKey is WIGCZNJXQUFZBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O4/c13-10(17)8-4-1-2-5-9(8)15-12(19)11(18)14-6-3-7-16/h1-2,4-5,16H,3,6-7H2,(H2,13,17)(H,14,18)(H,15,19).
What are the key properties of N'-(2-carbamoylphenyl)-N-(3-hydroxypropyl)oxamide?
N'-(2-carbamoylphenyl)-N-(3-hydroxypropyl)oxamide has a molecular weight of 265.27 g/mol, XLogP of -0.78, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-carbamoylphenyl)-N-(3-hydroxypropyl)oxamide is sourced from PubChem (CID 108524213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).