N-(3-acetamidopropyl)-2-methylprop-2-enamide

C9H16N2O2 — CID 45120253

IUPACN-(3-acetamidopropyl)-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NCCCNC(C)=O
InChIInChI=1S/C9H16N2O2/c1-7(2)9(13)11-6-4-5-10-8(3)12/h1,4-6H2,2-3H3,(H,10,12)(H,11,13)
InChIKeyONHBHDHQXQDXJP-UHFFFAOYSA-N
MW184.24 g/mol
LogP0.20
Rot. Bonds5

About N-(3-acetamidopropyl)-2-methylprop-2-enamide

N-(3-acetamidopropyl)-2-methylprop-2-enamide (PubChem CID 45120253) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is N-(3-acetamidopropyl)-2-methylprop-2-enamide.

Molecular Properties

Compound NameN-(3-acetamidopropyl)-2-methylprop-2-enamide
PubChem CID45120253
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC NameN-(3-acetamidopropyl)-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NCCCNC(C)=O
InChIInChI=1S/C9H16N2O2/c1-7(2)9(13)11-6-4-5-10-8(3)12/h1,4-6H2,2-3H3,(H,10,12)(H,11,13)
InChIKeyONHBHDHQXQDXJP-UHFFFAOYSA-N
XLogP0.20
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidopropyl)-2-methylprop-2-enamide?
The IUPAC name of N-(3-acetamidopropyl)-2-methylprop-2-enamide (CID 45120253) is N-(3-acetamidopropyl)-2-methylprop-2-enamide.
What is the SMILES notation for N-(3-acetamidopropyl)-2-methylprop-2-enamide?
The canonical SMILES for N-(3-acetamidopropyl)-2-methylprop-2-enamide is C=C(C)C(=O)NCCCNC(C)=O.
What is the InChIKey of N-(3-acetamidopropyl)-2-methylprop-2-enamide?
The InChIKey is ONHBHDHQXQDXJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2/c1-7(2)9(13)11-6-4-5-10-8(3)12/h1,4-6H2,2-3H3,(H,10,12)(H,11,13).
What are the key properties of N-(3-acetamidopropyl)-2-methylprop-2-enamide?
N-(3-acetamidopropyl)-2-methylprop-2-enamide has a molecular weight of 184.24 g/mol, XLogP of 0.20, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamidopropyl)-2-methylprop-2-enamide is sourced from PubChem (CID 45120253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).