ethyl 2-[6-acetamidohexanoyl(propyl)amino]acetate

C15H28N2O4 — CID 61006881

IUPACethyl 2-[6-acetamidohexanoyl(propyl)amino]acetate
SMILESCCCN(CC(=O)OCC)C(=O)CCCCCNC(C)=O
InChIInChI=1S/C15H28N2O4/c1-4-11-17(12-15(20)21-5-2)14(19)9-7-6-8-10-16-13(3)18/h4-12H2,1-3H3,(H,16,18)
InChIKeyBVHAKEBMQCKALN-UHFFFAOYSA-N
MW300.40 g/mol
LogP1.48
Rot. Bonds11

About ethyl 2-[6-acetamidohexanoyl(propyl)amino]acetate

ethyl 2-[6-acetamidohexanoyl(propyl)amino]acetate (PubChem CID 61006881) has the molecular formula C15H28N2O4 and a molecular weight of 300.40 g/mol. Its IUPAC name is ethyl 2-[6-acetamidohexanoyl(propyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[6-acetamidohexanoyl(propyl)amino]acetate
PubChem CID61006881
Molecular FormulaC15H28N2O4
Molecular Weight300.40 g/mol
Exact Mass300.20
IUPAC Nameethyl 2-[6-acetamidohexanoyl(propyl)amino]acetate
SMILESCCCN(CC(=O)OCC)C(=O)CCCCCNC(C)=O
InChIInChI=1S/C15H28N2O4/c1-4-11-17(12-15(20)21-5-2)14(19)9-7-6-8-10-16-13(3)18/h4-12H2,1-3H3,(H,16,18)
InChIKeyBVHAKEBMQCKALN-UHFFFAOYSA-N
XLogP1.48
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze ethyl 2-[6-acetamidohexanoyl(propyl)amino]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 2-[6-acetamidohexanoyl(propan-2-yl)amino]acetate
CID 61022176
methyl 2-[6-aminohexanoyl(propyl)amino]acetate
CID 54871850
ethyl 2-[2-[dodecanoyl-(2-ethoxy-2-oxoethyl)amino]ethyl-(2-ethoxy-2-oxoethyl)amino]acetate;hydroxylamine
CID 143996963
ethyl 2-[ethyl(hexanoyl)amino]acetate
CID 61022826
methyl 2-[4-methoxybutanoyl(propyl)amino]acetate
CID 78927223
N-[2-[2-acetamidoethyl(hexadecanoyl)amino]ethyl]hexadecanamide
CID 3020501
N-(8-oxononyl)acetamide
CID 58114719
dodecyl 6-acetamidohexanoate
CID 21259378
N-[2-(dodecylamino)-2-oxoethyl]-N-(2-hydroxyethyl)dodecanamide
CID 59053098
ethyl 2-[5-chloropentanoyl(2-methoxyethyl)amino]acetate
CID 54875632
6-acetamido-N-ethoxyhexanamide
CID 60717872
ethyl 2-[ethyl(5-hydroxypentanoyl)amino]acetate
CID 107860351

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[6-acetamidohexanoyl(propyl)amino]acetate?
The IUPAC name of ethyl 2-[6-acetamidohexanoyl(propyl)amino]acetate (CID 61006881) is ethyl 2-[6-acetamidohexanoyl(propyl)amino]acetate.
What is the SMILES notation for ethyl 2-[6-acetamidohexanoyl(propyl)amino]acetate?
The canonical SMILES for ethyl 2-[6-acetamidohexanoyl(propyl)amino]acetate is CCCN(CC(=O)OCC)C(=O)CCCCCNC(C)=O.
What is the InChIKey of ethyl 2-[6-acetamidohexanoyl(propyl)amino]acetate?
The InChIKey is BVHAKEBMQCKALN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O4/c1-4-11-17(12-15(20)21-5-2)14(19)9-7-6-8-10-16-13(3)18/h4-12H2,1-3H3,(H,16,18).
What are the key properties of ethyl 2-[6-acetamidohexanoyl(propyl)amino]acetate?
ethyl 2-[6-acetamidohexanoyl(propyl)amino]acetate has a molecular weight of 300.40 g/mol, XLogP of 1.48, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[6-acetamidohexanoyl(propyl)amino]acetate is sourced from PubChem (CID 61006881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).