N-(3-hydroperoxypropyl)propanamide

C6H13NO3 — CID 59935072

IUPACN-(3-hydroperoxypropyl)propanamide
SMILESCCC(=O)NCCCOO
InChIInChI=1S/C6H13NO3/c1-2-6(8)7-4-3-5-10-9/h9H,2-5H2,1H3,(H,7,8)
InChIKeyYZGUJCKDXSAXHC-UHFFFAOYSA-N
MW147.17 g/mol
LogP0.39
Rot. Bonds5

About N-(3-hydroperoxypropyl)propanamide

N-(3-hydroperoxypropyl)propanamide (PubChem CID 59935072) has the molecular formula C6H13NO3 and a molecular weight of 147.17 g/mol. Its IUPAC name is N-(3-hydroperoxypropyl)propanamide.

Molecular Properties

Compound NameN-(3-hydroperoxypropyl)propanamide
PubChem CID59935072
Molecular FormulaC6H13NO3
Molecular Weight147.17 g/mol
Exact Mass147.09
IUPAC NameN-(3-hydroperoxypropyl)propanamide
SMILESCCC(=O)NCCCOO
InChIInChI=1S/C6H13NO3/c1-2-6(8)7-4-3-5-10-9/h9H,2-5H2,1H3,(H,7,8)
InChIKeyYZGUJCKDXSAXHC-UHFFFAOYSA-N
XLogP0.39
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.17
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

Analyze N-(3-hydroperoxypropyl)propanamide 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-[3-(2-methylpropoxy)propyl]propanamide
CID 60705995
N-(5-ethoxypentyl)propanamide
CID 91349564
N-(3-aminopropyl)propanamide
CID 21290277
ethane;N-[3-[2-[2-[3-(propan-2-ylamino)propoxy]ethoxy]ethoxy]propyl]propanamide
CID 166555356
N-[7-[(2-chloroacetyl)amino]heptyl]propanamide
CID 163838006
ethane;N-undecylpropanamide
CID 155706114
N-[11-[(2-methoxyacetyl)amino]undecyl]propanamide
CID 155455429
N-(4-methylpentyl)propanamide
CID 54140551
N-[10-[(2-hydroxyacetyl)amino]decyl]propanamide;neodymium
CID 171554602
ethane;N-methyl-6-(propanoylamino)hexanamide
CID 145098119
N-[2-(2-butoxyethoxy)ethyl]propanamide
CID 153105198
1-O-[3-(propanoylamino)propyl] 4-O-propan-2-yl butanedioate
CID 126495759

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroperoxypropyl)propanamide?
The IUPAC name of N-(3-hydroperoxypropyl)propanamide (CID 59935072) is N-(3-hydroperoxypropyl)propanamide.
What is the SMILES notation for N-(3-hydroperoxypropyl)propanamide?
The canonical SMILES for N-(3-hydroperoxypropyl)propanamide is CCC(=O)NCCCOO.
What is the InChIKey of N-(3-hydroperoxypropyl)propanamide?
The InChIKey is YZGUJCKDXSAXHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO3/c1-2-6(8)7-4-3-5-10-9/h9H,2-5H2,1H3,(H,7,8).
What are the key properties of N-(3-hydroperoxypropyl)propanamide?
N-(3-hydroperoxypropyl)propanamide has a molecular weight of 147.17 g/mol, XLogP of 0.39, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroperoxypropyl)propanamide is sourced from PubChem (CID 59935072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).