2-[acetamido-(2-aminoacetyl)amino]-N-propylacetamide

C9H18N4O3 — CID 162650155

IUPAC2-[acetamido-(2-aminoacetyl)amino]-N-propylacetamide
SMILESCCCNC(=O)CN(NC(C)=O)C(=O)CN
InChIInChI=1S/C9H18N4O3/c1-3-4-11-8(15)6-13(9(16)5-10)12-7(2)14/h3-6,10H2,1-2H3,(H,11,15)(H,12,14)
InChIKeyLADUPJBMPIMZGR-UHFFFAOYSA-N
MW230.27 g/mol
LogP-1.65
Rot. Bonds5

About 2-[acetamido-(2-aminoacetyl)amino]-N-propylacetamide

2-[acetamido-(2-aminoacetyl)amino]-N-propylacetamide (PubChem CID 162650155) has the molecular formula C9H18N4O3 and a molecular weight of 230.27 g/mol. Its IUPAC name is 2-[acetamido-(2-aminoacetyl)amino]-N-propylacetamide.

Molecular Properties

Compound Name2-[acetamido-(2-aminoacetyl)amino]-N-propylacetamide
PubChem CID162650155
Molecular FormulaC9H18N4O3
Molecular Weight230.27 g/mol
Exact Mass230.14
IUPAC Name2-[acetamido-(2-aminoacetyl)amino]-N-propylacetamide
SMILESCCCNC(=O)CN(NC(C)=O)C(=O)CN
InChIInChI=1S/C9H18N4O3/c1-3-4-11-8(15)6-13(9(16)5-10)12-7(2)14/h3-6,10H2,1-2H3,(H,11,15)(H,12,14)
InChIKeyLADUPJBMPIMZGR-UHFFFAOYSA-N
XLogP-1.65
TPSA104.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 5-1.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[acetamido-(2-aminoacetyl)amino]-N-propylacetamide?
The IUPAC name of 2-[acetamido-(2-aminoacetyl)amino]-N-propylacetamide (CID 162650155) is 2-[acetamido-(2-aminoacetyl)amino]-N-propylacetamide.
What is the SMILES notation for 2-[acetamido-(2-aminoacetyl)amino]-N-propylacetamide?
The canonical SMILES for 2-[acetamido-(2-aminoacetyl)amino]-N-propylacetamide is CCCNC(=O)CN(NC(C)=O)C(=O)CN.
What is the InChIKey of 2-[acetamido-(2-aminoacetyl)amino]-N-propylacetamide?
The InChIKey is LADUPJBMPIMZGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4O3/c1-3-4-11-8(15)6-13(9(16)5-10)12-7(2)14/h3-6,10H2,1-2H3,(H,11,15)(H,12,14).
What are the key properties of 2-[acetamido-(2-aminoacetyl)amino]-N-propylacetamide?
2-[acetamido-(2-aminoacetyl)amino]-N-propylacetamide has a molecular weight of 230.27 g/mol, XLogP of -1.65, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetamido-(2-aminoacetyl)amino]-N-propylacetamide is sourced from PubChem (CID 162650155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).