ethyl 2-[6-acetamidohexanoyl(propan-2-yl)amino]acetate

C15H28N2O4 — CID 61022176

IUPACethyl 2-[6-acetamidohexanoyl(propan-2-yl)amino]acetate
SMILESCCOC(=O)CN(C(=O)CCCCCNC(C)=O)C(C)C
InChIInChI=1S/C15H28N2O4/c1-5-21-15(20)11-17(12(2)3)14(19)9-7-6-8-10-16-13(4)18/h12H,5-11H2,1-4H3,(H,16,18)
InChIKeyCGOOKMUHYXDEHQ-UHFFFAOYSA-N
MW300.40 g/mol
LogP1.48
Rot. Bonds10

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

ethyl 2-[6-acetamidohexanoyl(propan-2-yl)amino]acetate (PubChem CID 61022176) has the molecular formula C15H28N2O4 and a molecular weight of 300.40 g/mol. Its IUPAC name is ethyl 2-[6-acetamidohexanoyl(propan-2-yl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[6-acetamidohexanoyl(propan-2-yl)amino]acetate
PubChem CID61022176
Molecular FormulaC15H28N2O4
Molecular Weight300.40 g/mol
Exact Mass300.20
IUPAC Nameethyl 2-[6-acetamidohexanoyl(propan-2-yl)amino]acetate
SMILESCCOC(=O)CN(C(=O)CCCCCNC(C)=O)C(C)C
InChIInChI=1S/C15H28N2O4/c1-5-21-15(20)11-17(12(2)3)14(19)9-7-6-8-10-16-13(4)18/h12H,5-11H2,1-4H3,(H,16,18)
InChIKeyCGOOKMUHYXDEHQ-UHFFFAOYSA-N
XLogP1.48
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
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'}

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Related Compounds

ethyl 2-[6-acetamidohexanoyl(propyl)amino]acetate
CID 61006881
6-acetamido-N-(2-hydroxyethyl)-N-propan-2-ylhexanamide
CID 43573628
3-[6-acetamidohexanoyl(propan-2-yl)amino]propanoic acid
CID 60831935
ethyl 2-[(2-fluoroacetyl)-propan-2-ylamino]acetate
CID 170383647
ethyl 2-[[2-(2,2-dimethylpropanoylamino)acetyl]-propan-2-ylamino]acetate
CID 61022550
6-acetamido-N-ethoxyhexanamide
CID 60717872
3-[(2-ethoxy-2-oxoethyl)-propan-2-ylamino]-2-methyl-3-oxopropanoic acid
CID 114897747
2-[6-acetamidohexanoyl(methyl)amino]propanoic acid
CID 55096871
ethyl 2-[[1-oxo-1-(pentylamino)propan-2-yl]-propylamino]acetate
CID 62026570
ethyl 6-[(4-ethoxy-4-oxobutyl)carbamoylamino]hexanoate
CID 3344425
2-[[4-(2-acetamidoethylamino)-4-oxobutanoyl]-propan-2-ylamino]acetic acid
CID 119198365
ethyl 2-[[2-(cyclopentylamino)acetyl]-propan-2-ylamino]acetate
CID 54916597

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[6-acetamidohexanoyl(propan-2-yl)amino]acetate?
The IUPAC name of ethyl 2-[6-acetamidohexanoyl(propan-2-yl)amino]acetate (CID 61022176) is ethyl 2-[6-acetamidohexanoyl(propan-2-yl)amino]acetate.
What is the SMILES notation for ethyl 2-[6-acetamidohexanoyl(propan-2-yl)amino]acetate?
The canonical SMILES for ethyl 2-[6-acetamidohexanoyl(propan-2-yl)amino]acetate is CCOC(=O)CN(C(=O)CCCCCNC(C)=O)C(C)C.
What is the InChIKey of ethyl 2-[6-acetamidohexanoyl(propan-2-yl)amino]acetate?
The InChIKey is CGOOKMUHYXDEHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O4/c1-5-21-15(20)11-17(12(2)3)14(19)9-7-6-8-10-16-13(4)18/h12H,5-11H2,1-4H3,(H,16,18).
What are the key properties of ethyl 2-[6-acetamidohexanoyl(propan-2-yl)amino]acetate?
ethyl 2-[6-acetamidohexanoyl(propan-2-yl)amino]acetate has a molecular weight of 300.40 g/mol, XLogP of 1.48, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[6-acetamidohexanoyl(propan-2-yl)amino]acetate is sourced from PubChem (CID 61022176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).