N-[1-acetamido-2-[acetyl(ethenyl)amino]ethyl]acetamide

C10H17N3O3 — CID 87622573

IUPACN-[1-acetamido-2-[acetyl(ethenyl)amino]ethyl]acetamide
SMILESC=CN(CC(NC(C)=O)NC(C)=O)C(C)=O
InChIInChI=1S/C10H17N3O3/c1-5-13(9(4)16)6-10(11-7(2)14)12-8(3)15/h5,10H,1,6H2,2-4H3,(H,11,14)(H,12,15)
InChIKeyJCANZKNDMKCKOV-UHFFFAOYSA-N
MW227.26 g/mol
LogP-0.42
Rot. Bonds5

About N-[1-acetamido-2-[acetyl(ethenyl)amino]ethyl]acetamide

N-[1-acetamido-2-[acetyl(ethenyl)amino]ethyl]acetamide (PubChem CID 87622573) has the molecular formula C10H17N3O3 and a molecular weight of 227.26 g/mol. Its IUPAC name is N-[1-acetamido-2-[acetyl(ethenyl)amino]ethyl]acetamide.

Molecular Properties

Compound NameN-[1-acetamido-2-[acetyl(ethenyl)amino]ethyl]acetamide
PubChem CID87622573
Molecular FormulaC10H17N3O3
Molecular Weight227.26 g/mol
Exact Mass227.13
IUPAC NameN-[1-acetamido-2-[acetyl(ethenyl)amino]ethyl]acetamide
SMILESC=CN(CC(NC(C)=O)NC(C)=O)C(C)=O
InChIInChI=1S/C10H17N3O3/c1-5-13(9(4)16)6-10(11-7(2)14)12-8(3)15/h5,10H,1,6H2,2-4H3,(H,11,14)(H,12,15)
InChIKeyJCANZKNDMKCKOV-UHFFFAOYSA-N
XLogP-0.42
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 5-0.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[1-acetamido-2-[acetyl(ethenyl)amino]ethyl]acetamide?
The IUPAC name of N-[1-acetamido-2-[acetyl(ethenyl)amino]ethyl]acetamide (CID 87622573) is N-[1-acetamido-2-[acetyl(ethenyl)amino]ethyl]acetamide.
What is the SMILES notation for N-[1-acetamido-2-[acetyl(ethenyl)amino]ethyl]acetamide?
The canonical SMILES for N-[1-acetamido-2-[acetyl(ethenyl)amino]ethyl]acetamide is C=CN(CC(NC(C)=O)NC(C)=O)C(C)=O.
What is the InChIKey of N-[1-acetamido-2-[acetyl(ethenyl)amino]ethyl]acetamide?
The InChIKey is JCANZKNDMKCKOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O3/c1-5-13(9(4)16)6-10(11-7(2)14)12-8(3)15/h5,10H,1,6H2,2-4H3,(H,11,14)(H,12,15).
What are the key properties of N-[1-acetamido-2-[acetyl(ethenyl)amino]ethyl]acetamide?
N-[1-acetamido-2-[acetyl(ethenyl)amino]ethyl]acetamide has a molecular weight of 227.26 g/mol, XLogP of -0.42, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-acetamido-2-[acetyl(ethenyl)amino]ethyl]acetamide is sourced from PubChem (CID 87622573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).