N-(3-formamidopropyl)-N'-(oxolan-2-ylmethyl)oxamide

C11H19N3O4 — CID 108507620

IUPACN-(3-formamidopropyl)-N'-(oxolan-2-ylmethyl)oxamide
SMILESO=CNCCCNC(=O)C(=O)NCC1CCCO1
InChIInChI=1S/C11H19N3O4/c15-8-12-4-2-5-13-10(16)11(17)14-7-9-3-1-6-18-9/h8-9H,1-7H2,(H,12,15)(H,13,16)(H,14,17)
InChIKeyLFSYGKJDTAHOKS-UHFFFAOYSA-N
MW257.29 g/mol
LogP-1.47
Rot. Bonds7

About N-(3-formamidopropyl)-N'-(oxolan-2-ylmethyl)oxamide

N-(3-formamidopropyl)-N'-(oxolan-2-ylmethyl)oxamide (PubChem CID 108507620) has the molecular formula C11H19N3O4 and a molecular weight of 257.29 g/mol. Its IUPAC name is N-(3-formamidopropyl)-N'-(oxolan-2-ylmethyl)oxamide.

Molecular Properties

Compound NameN-(3-formamidopropyl)-N'-(oxolan-2-ylmethyl)oxamide
PubChem CID108507620
Molecular FormulaC11H19N3O4
Molecular Weight257.29 g/mol
Exact Mass257.14
IUPAC NameN-(3-formamidopropyl)-N'-(oxolan-2-ylmethyl)oxamide
SMILESO=CNCCCNC(=O)C(=O)NCC1CCCO1
InChIInChI=1S/C11H19N3O4/c15-8-12-4-2-5-13-10(16)11(17)14-7-9-3-1-6-18-9/h8-9H,1-7H2,(H,12,15)(H,13,16)(H,14,17)
InChIKeyLFSYGKJDTAHOKS-UHFFFAOYSA-N
XLogP-1.47
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 5-1.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-(3-formamidopropyl)-N'-(oxolan-2-ylmethyl)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'-[[(2R)-oxolan-2-yl]methyl]-N-propyloxamide
CID 2290769
N-(3-methoxypropyl)-N'-[[(2S)-oxolan-2-yl]methyl]oxamide
CID 7013045
N-(3-methoxypropyl)-N'-[[(2R)-oxolan-2-yl]methyl]oxamide
CID 7013044
N-[2-(dimethylamino)ethyl]-N'-(oxolan-2-ylmethyl)oxamide
CID 3156704
1-[[(2S)-oxolan-2-yl]methyl]-3-[3-[[(2S)-oxolan-2-yl]methylcarbamothioylamino]propyl]thiourea
CID 8669320
N-(2-ethenoxyethyl)-N'-[[(2R)-oxolan-2-yl]methyl]oxamide
CID 7034176
(Z)-2-cyano-N-(oxolan-2-ylmethyl)-3-(pentylamino)prop-2-enamide
CID 108839283
6-acetamido-N-(oxolan-2-ylmethyl)hexanamide
CID 86978113
N'-cycloheptyl-N-[[(2S)-oxolan-2-yl]methyl]oxamide
CID 2287959
2-(oxolan-2-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 110696563
[(2S)-oxolan-2-yl]methylcarbamic acid
CID 69040354
4-(oxolan-2-ylmethylcarbamoylamino)butanoic acid
CID 61191606

Frequently Asked Questions

What is the IUPAC name of N-(3-formamidopropyl)-N'-(oxolan-2-ylmethyl)oxamide?
The IUPAC name of N-(3-formamidopropyl)-N'-(oxolan-2-ylmethyl)oxamide (CID 108507620) is N-(3-formamidopropyl)-N'-(oxolan-2-ylmethyl)oxamide.
What is the SMILES notation for N-(3-formamidopropyl)-N'-(oxolan-2-ylmethyl)oxamide?
The canonical SMILES for N-(3-formamidopropyl)-N'-(oxolan-2-ylmethyl)oxamide is O=CNCCCNC(=O)C(=O)NCC1CCCO1.
What is the InChIKey of N-(3-formamidopropyl)-N'-(oxolan-2-ylmethyl)oxamide?
The InChIKey is LFSYGKJDTAHOKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O4/c15-8-12-4-2-5-13-10(16)11(17)14-7-9-3-1-6-18-9/h8-9H,1-7H2,(H,12,15)(H,13,16)(H,14,17).
What are the key properties of N-(3-formamidopropyl)-N'-(oxolan-2-ylmethyl)oxamide?
N-(3-formamidopropyl)-N'-(oxolan-2-ylmethyl)oxamide has a molecular weight of 257.29 g/mol, XLogP of -1.47, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-formamidopropyl)-N'-(oxolan-2-ylmethyl)oxamide is sourced from PubChem (CID 108507620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).