N-(3-hydroxypropyl)-N'-(3-methoxyphenyl)oxamide

C12H16N2O4 — CID 2247264

IUPACN-(3-hydroxypropyl)-N'-(3-methoxyphenyl)oxamide
SMILESCOc1cccc(NC(=O)C(=O)NCCCO)c1
InChIInChI=1S/C12H16N2O4/c1-18-10-5-2-4-9(8-10)14-12(17)11(16)13-6-3-7-15/h2,4-5,8,15H,3,6-7H2,1H3,(H,13,16)(H,14,17)
InChIKeyIBHVPRPOKXRCRV-UHFFFAOYSA-N
MW252.27 g/mol
LogP0.13
Rot. Bonds5

About N-(3-hydroxypropyl)-N'-(3-methoxyphenyl)oxamide

N-(3-hydroxypropyl)-N'-(3-methoxyphenyl)oxamide (PubChem CID 2247264) has the molecular formula C12H16N2O4 and a molecular weight of 252.27 g/mol. Its IUPAC name is N-(3-hydroxypropyl)-N'-(3-methoxyphenyl)oxamide.

Molecular Properties

Compound NameN-(3-hydroxypropyl)-N'-(3-methoxyphenyl)oxamide
PubChem CID2247264
Molecular FormulaC12H16N2O4
Molecular Weight252.27 g/mol
Exact Mass252.11
IUPAC NameN-(3-hydroxypropyl)-N'-(3-methoxyphenyl)oxamide
SMILESCOc1cccc(NC(=O)C(=O)NCCCO)c1
InChIInChI=1S/C12H16N2O4/c1-18-10-5-2-4-9(8-10)14-12(17)11(16)13-6-3-7-15/h2,4-5,8,15H,3,6-7H2,1H3,(H,13,16)(H,14,17)
InChIKeyIBHVPRPOKXRCRV-UHFFFAOYSA-N
XLogP0.13
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 50.13
H-Bond Donors ≤ 53
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-(5-hydroxypentyl)-N'-(3-methoxyphenyl)oxamide
CID 108519583
2-[[2-(3-methoxyanilino)-2-oxoacetyl]amino]ethyl-dimethylazanium
CID 2268249
N-(cyanomethyl)-N'-(3-methoxyphenyl)oxamide
CID 43315934
N'-(3,4-dimethoxyphenyl)-N-(3-hydroxypropyl)oxamide
CID 5210710
N'-(3-bromophenyl)-N-(3-hydroxypropyl)oxamide
CID 568365
N-(3,3-diethoxypropyl)-N'-(3-methoxyphenyl)oxamide
CID 172894059
N-[2-(3-methoxyphenyl)ethyl]-N'-phenyloxamide
CID 44892117
N'-(3-methoxyphenyl)-N-(2-morpholin-4-ium-4-ylethyl)oxamide
CID 7160825
N'-(3-methoxyphenyl)-N-[3-(4-morpholin-4-ylphenyl)propyl]oxamide
CID 16892181
N'-(1-hydroxy-2-methylpropan-2-yl)-N-(3-methoxyphenyl)oxamide
CID 44999402
N'-(3-bromophenyl)-N-(3-methoxyphenyl)oxamide
CID 108519610
1-(3-ethoxyphenyl)-3-(3-hydroxypropyl)urea
CID 110896937

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxypropyl)-N'-(3-methoxyphenyl)oxamide?
The IUPAC name of N-(3-hydroxypropyl)-N'-(3-methoxyphenyl)oxamide (CID 2247264) is N-(3-hydroxypropyl)-N'-(3-methoxyphenyl)oxamide.
What is the SMILES notation for N-(3-hydroxypropyl)-N'-(3-methoxyphenyl)oxamide?
The canonical SMILES for N-(3-hydroxypropyl)-N'-(3-methoxyphenyl)oxamide is COc1cccc(NC(=O)C(=O)NCCCO)c1.
What is the InChIKey of N-(3-hydroxypropyl)-N'-(3-methoxyphenyl)oxamide?
The InChIKey is IBHVPRPOKXRCRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4/c1-18-10-5-2-4-9(8-10)14-12(17)11(16)13-6-3-7-15/h2,4-5,8,15H,3,6-7H2,1H3,(H,13,16)(H,14,17).
What are the key properties of N-(3-hydroxypropyl)-N'-(3-methoxyphenyl)oxamide?
N-(3-hydroxypropyl)-N'-(3-methoxyphenyl)oxamide has a molecular weight of 252.27 g/mol, XLogP of 0.13, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxypropyl)-N'-(3-methoxyphenyl)oxamide is sourced from PubChem (CID 2247264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).