N-(3-methoxypropyl)-N'-phenyloxamide

C12H16N2O3 — CID 3437698

IUPACN-(3-methoxypropyl)-N'-phenyloxamide
SMILESCOCCCNC(=O)C(=O)Nc1ccccc1
InChIInChI=1S/C12H16N2O3/c1-17-9-5-8-13-11(15)12(16)14-10-6-3-2-4-7-10/h2-4,6-7H,5,8-9H2,1H3,(H,13,15)(H,14,16)
InChIKeyRTBCAUYUJWMPRQ-UHFFFAOYSA-N
MW236.27 g/mol
LogP0.78
Rot. Bonds5

About N-(3-methoxypropyl)-N'-phenyloxamide

N-(3-methoxypropyl)-N'-phenyloxamide (PubChem CID 3437698) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is N-(3-methoxypropyl)-N'-phenyloxamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-N'-phenyloxamide
PubChem CID3437698
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC NameN-(3-methoxypropyl)-N'-phenyloxamide
SMILESCOCCCNC(=O)C(=O)Nc1ccccc1
InChIInChI=1S/C12H16N2O3/c1-17-9-5-8-13-11(15)12(16)14-10-6-3-2-4-7-10/h2-4,6-7H,5,8-9H2,1H3,(H,13,15)(H,14,16)
InChIKeyRTBCAUYUJWMPRQ-UHFFFAOYSA-N
XLogP0.78
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(3-methoxypropyl)-N'-phenyloxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-(4-bromophenyl)-N-(3-methoxypropyl)oxamide
CID 3114000
N-(3-methoxypropyl)-N'-(4-propan-2-ylphenyl)oxamide
CID 624152
N-butyl-N'-phenyloxamide
CID 2290889
N-(3-methoxypropyl)-N'-[3-(trifluoromethyl)phenyl]oxamide
CID 3114001
N'-(3,5-dimethylphenyl)-N-(3-methoxypropyl)oxamide
CID 2273691
4-(3-methoxypropylcarbamoylamino)-N-phenylbenzamide
CID 52793055
N'-phenyl-N-propyloxamide
CID 2291438
N'-(2,6-difluorophenyl)-N-(3-methoxypropyl)oxamide
CID 47224631
N-(6-hydroxyhexyl)-N'-phenyloxamide
CID 50850958
2-N-(3-methoxypropyl)-1-N-phenylcyclopropane-1,2-dicarboxamide
CID 109133160
N-(3-methoxypropyl)-N'-(2-phenylsulfanylphenyl)oxamide
CID 108506360
N'-(2-ethoxyphenyl)-N-(3-methoxypropyl)oxamide
CID 2271593

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-N'-phenyloxamide?
The IUPAC name of N-(3-methoxypropyl)-N'-phenyloxamide (CID 3437698) is N-(3-methoxypropyl)-N'-phenyloxamide.
What is the SMILES notation for N-(3-methoxypropyl)-N'-phenyloxamide?
The canonical SMILES for N-(3-methoxypropyl)-N'-phenyloxamide is COCCCNC(=O)C(=O)Nc1ccccc1.
What is the InChIKey of N-(3-methoxypropyl)-N'-phenyloxamide?
The InChIKey is RTBCAUYUJWMPRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-17-9-5-8-13-11(15)12(16)14-10-6-3-2-4-7-10/h2-4,6-7H,5,8-9H2,1H3,(H,13,15)(H,14,16).
What are the key properties of N-(3-methoxypropyl)-N'-phenyloxamide?
N-(3-methoxypropyl)-N'-phenyloxamide has a molecular weight of 236.27 g/mol, XLogP of 0.78, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-N'-phenyloxamide is sourced from PubChem (CID 3437698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).