N-(2-methyl-2-morpholin-4-ylpropyl)-2-(prop-2-enylamino)acetamide

C13H25N3O2 — CID 78914224

IUPACN-(2-methyl-2-morpholin-4-ylpropyl)-2-(prop-2-enylamino)acetamide
SMILESC=CCNCC(=O)NCC(C)(C)N1CCOCC1
InChIInChI=1S/C13H25N3O2/c1-4-5-14-10-12(17)15-11-13(2,3)16-6-8-18-9-7-16/h4,14H,1,5-11H2,2-3H3,(H,15,17)
InChIKeyDNHYAFTWEBGTJF-UHFFFAOYSA-N
MW255.36 g/mol
LogP-0.01
Rot. Bonds7

About N-(2-methyl-2-morpholin-4-ylpropyl)-2-(prop-2-enylamino)acetamide

N-(2-methyl-2-morpholin-4-ylpropyl)-2-(prop-2-enylamino)acetamide (PubChem CID 78914224) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is N-(2-methyl-2-morpholin-4-ylpropyl)-2-(prop-2-enylamino)acetamide.

Molecular Properties

Compound NameN-(2-methyl-2-morpholin-4-ylpropyl)-2-(prop-2-enylamino)acetamide
PubChem CID78914224
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC NameN-(2-methyl-2-morpholin-4-ylpropyl)-2-(prop-2-enylamino)acetamide
SMILESC=CCNCC(=O)NCC(C)(C)N1CCOCC1
InChIInChI=1S/C13H25N3O2/c1-4-5-14-10-12(17)15-11-13(2,3)16-6-8-18-9-7-16/h4,14H,1,5-11H2,2-3H3,(H,15,17)
InChIKeyDNHYAFTWEBGTJF-UHFFFAOYSA-N
XLogP-0.01
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-2-morpholin-4-ylpropyl)-2-(prop-2-enylamino)acetamide?
The IUPAC name of N-(2-methyl-2-morpholin-4-ylpropyl)-2-(prop-2-enylamino)acetamide (CID 78914224) is N-(2-methyl-2-morpholin-4-ylpropyl)-2-(prop-2-enylamino)acetamide.
What is the SMILES notation for N-(2-methyl-2-morpholin-4-ylpropyl)-2-(prop-2-enylamino)acetamide?
The canonical SMILES for N-(2-methyl-2-morpholin-4-ylpropyl)-2-(prop-2-enylamino)acetamide is C=CCNCC(=O)NCC(C)(C)N1CCOCC1.
What is the InChIKey of N-(2-methyl-2-morpholin-4-ylpropyl)-2-(prop-2-enylamino)acetamide?
The InChIKey is DNHYAFTWEBGTJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2/c1-4-5-14-10-12(17)15-11-13(2,3)16-6-8-18-9-7-16/h4,14H,1,5-11H2,2-3H3,(H,15,17).
What are the key properties of N-(2-methyl-2-morpholin-4-ylpropyl)-2-(prop-2-enylamino)acetamide?
N-(2-methyl-2-morpholin-4-ylpropyl)-2-(prop-2-enylamino)acetamide has a molecular weight of 255.36 g/mol, XLogP of -0.01, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-2-morpholin-4-ylpropyl)-2-(prop-2-enylamino)acetamide is sourced from PubChem (CID 78914224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).