N'-(2,5-dimethoxyphenyl)-N-(3-formamidopropyl)oxamide

C14H19N3O5 — CID 108511953

IUPACN'-(2,5-dimethoxyphenyl)-N-(3-formamidopropyl)oxamide
SMILESCOc1ccc(OC)c(NC(=O)C(=O)NCCCNC=O)c1
InChIInChI=1S/C14H19N3O5/c1-21-10-4-5-12(22-2)11(8-10)17-14(20)13(19)16-7-3-6-15-9-18/h4-5,8-9H,3,6-7H2,1-2H3,(H,15,18)(H,16,19)(H,17,20)
InChIKeyTUNPFCNDSPMYOP-UHFFFAOYSA-N
MW309.32 g/mol
LogP-0.11
Rot. Bonds8

About N'-(2,5-dimethoxyphenyl)-N-(3-formamidopropyl)oxamide

N'-(2,5-dimethoxyphenyl)-N-(3-formamidopropyl)oxamide (PubChem CID 108511953) has the molecular formula C14H19N3O5 and a molecular weight of 309.32 g/mol. Its IUPAC name is N'-(2,5-dimethoxyphenyl)-N-(3-formamidopropyl)oxamide.

Molecular Properties

Compound NameN'-(2,5-dimethoxyphenyl)-N-(3-formamidopropyl)oxamide
PubChem CID108511953
Molecular FormulaC14H19N3O5
Molecular Weight309.32 g/mol
Exact Mass309.13
IUPAC NameN'-(2,5-dimethoxyphenyl)-N-(3-formamidopropyl)oxamide
SMILESCOc1ccc(OC)c(NC(=O)C(=O)NCCCNC=O)c1
InChIInChI=1S/C14H19N3O5/c1-21-10-4-5-12(22-2)11(8-10)17-14(20)13(19)16-7-3-6-15-9-18/h4-5,8-9H,3,6-7H2,1-2H3,(H,15,18)(H,16,19)(H,17,20)
InChIKeyTUNPFCNDSPMYOP-UHFFFAOYSA-N
XLogP-0.11
TPSA105.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.32
LogP ≤ 5-0.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N'-(2,5-dimethoxyphenyl)-N-(3-formamidopropyl)oxamide 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-chloro-2,5-dimethoxyphenyl)-N-(3-formamidopropyl)oxamide
CID 108528884
3-[[2-(2,5-dimethoxyanilino)-2-oxoacetyl]amino]propyl-dipropylazanium
CID 7323847
N'-(2,5-dimethoxyphenyl)-N-[2-(2-methoxyphenyl)ethyl]oxamide
CID 44995669
N'-(2,5-dimethoxyphenyl)-N-(2-methylpropyl)oxamide
CID 44995689
N-[2-(3-chlorophenyl)ethyl]-N'-(2,5-dimethoxyphenyl)oxamide
CID 86996000
N'-(2,5-dimethoxyphenyl)-N-[(4-methylphenyl)methyl]oxamide
CID 2272409
ethyl 2-(2,5-dimethoxyanilino)-2-oxoacetate
CID 3494164
N-[2-(2,4-dichlorophenyl)ethyl]-N'-(2,5-dimethoxyphenyl)oxamide
CID 108986643
N'-(2,4-dimethoxyphenyl)-N-propyloxamide
CID 44995967
N-(2,5-dimethoxyphenyl)-4-(ethylamino)butanamide
CID 67149586
(Z)-3-(3-chloropropylamino)-2-cyano-N-(2,5-dimethoxyphenyl)prop-2-enamide
CID 108850364
N'-(2,5-dimethoxyphenyl)-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]oxamide
CID 108512004

Frequently Asked Questions

What is the IUPAC name of N'-(2,5-dimethoxyphenyl)-N-(3-formamidopropyl)oxamide?
The IUPAC name of N'-(2,5-dimethoxyphenyl)-N-(3-formamidopropyl)oxamide (CID 108511953) is N'-(2,5-dimethoxyphenyl)-N-(3-formamidopropyl)oxamide.
What is the SMILES notation for N'-(2,5-dimethoxyphenyl)-N-(3-formamidopropyl)oxamide?
The canonical SMILES for N'-(2,5-dimethoxyphenyl)-N-(3-formamidopropyl)oxamide is COc1ccc(OC)c(NC(=O)C(=O)NCCCNC=O)c1.
What is the InChIKey of N'-(2,5-dimethoxyphenyl)-N-(3-formamidopropyl)oxamide?
The InChIKey is TUNPFCNDSPMYOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O5/c1-21-10-4-5-12(22-2)11(8-10)17-14(20)13(19)16-7-3-6-15-9-18/h4-5,8-9H,3,6-7H2,1-2H3,(H,15,18)(H,16,19)(H,17,20).
What are the key properties of N'-(2,5-dimethoxyphenyl)-N-(3-formamidopropyl)oxamide?
N'-(2,5-dimethoxyphenyl)-N-(3-formamidopropyl)oxamide has a molecular weight of 309.32 g/mol, XLogP of -0.11, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,5-dimethoxyphenyl)-N-(3-formamidopropyl)oxamide is sourced from PubChem (CID 108511953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).