2-amino-N-[2-(dodecylamino)-2-oxoethyl]acetamide

C16H33N3O2 — CID 10780520

IUPAC2-amino-N-[2-(dodecylamino)-2-oxoethyl]acetamide
SMILESCCCCCCCCCCCCNC(=O)CNC(=O)CN
InChIInChI=1S/C16H33N3O2/c1-2-3-4-5-6-7-8-9-10-11-12-18-16(21)14-19-15(20)13-17/h2-14,17H2,1H3,(H,18,21)(H,19,20)
InChIKeyWNVRJUMUPANERF-UHFFFAOYSA-N
MW299.46 g/mol
LogP2.10
Rot. Bonds14

About 2-amino-N-[2-(dodecylamino)-2-oxoethyl]acetamide

2-amino-N-[2-(dodecylamino)-2-oxoethyl]acetamide (PubChem CID 10780520) has the molecular formula C16H33N3O2 and a molecular weight of 299.46 g/mol. Its IUPAC name is 2-amino-N-[2-(dodecylamino)-2-oxoethyl]acetamide.

Molecular Properties

Compound Name2-amino-N-[2-(dodecylamino)-2-oxoethyl]acetamide
PubChem CID10780520
Molecular FormulaC16H33N3O2
Molecular Weight299.46 g/mol
Exact Mass299.26
IUPAC Name2-amino-N-[2-(dodecylamino)-2-oxoethyl]acetamide
SMILESCCCCCCCCCCCCNC(=O)CNC(=O)CN
InChIInChI=1S/C16H33N3O2/c1-2-3-4-5-6-7-8-9-10-11-12-18-16(21)14-19-15(20)13-17/h2-14,17H2,1H3,(H,18,21)(H,19,20)
InChIKeyWNVRJUMUPANERF-UHFFFAOYSA-N
XLogP2.10
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.46
LogP ≤ 52.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(dodecylamino)-2-oxoethyl]acetamide?
The IUPAC name of 2-amino-N-[2-(dodecylamino)-2-oxoethyl]acetamide (CID 10780520) is 2-amino-N-[2-(dodecylamino)-2-oxoethyl]acetamide.
What is the SMILES notation for 2-amino-N-[2-(dodecylamino)-2-oxoethyl]acetamide?
The canonical SMILES for 2-amino-N-[2-(dodecylamino)-2-oxoethyl]acetamide is CCCCCCCCCCCCNC(=O)CNC(=O)CN.
What is the InChIKey of 2-amino-N-[2-(dodecylamino)-2-oxoethyl]acetamide?
The InChIKey is WNVRJUMUPANERF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3O2/c1-2-3-4-5-6-7-8-9-10-11-12-18-16(21)14-19-15(20)13-17/h2-14,17H2,1H3,(H,18,21)(H,19,20).
What are the key properties of 2-amino-N-[2-(dodecylamino)-2-oxoethyl]acetamide?
2-amino-N-[2-(dodecylamino)-2-oxoethyl]acetamide has a molecular weight of 299.46 g/mol, XLogP of 2.10, 14 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(dodecylamino)-2-oxoethyl]acetamide is sourced from PubChem (CID 10780520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).