butyl 2-[methyl-[2-[methyl(prop-2-enoxycarbonyl)amino]acetyl]amino]acetate

C14H24N2O5 — CID 6422702

IUPACbutyl 2-[methyl-[2-[methyl(prop-2-enoxycarbonyl)amino]acetyl]amino]acetate
SMILESC=CCOC(=O)N(C)CC(=O)N(C)CC(=O)OCCCC
InChIInChI=1S/C14H24N2O5/c1-5-7-9-20-13(18)11-15(3)12(17)10-16(4)14(19)21-8-6-2/h6H,2,5,7-11H2,1,3-4H3
InChIKeyOKXQDGZWLVDXOT-UHFFFAOYSA-N
MW300.36 g/mol
LogP1.04
Rot. Bonds9

About butyl 2-[methyl-[2-[methyl(prop-2-enoxycarbonyl)amino]acetyl]amino]acetate

butyl 2-[methyl-[2-[methyl(prop-2-enoxycarbonyl)amino]acetyl]amino]acetate (PubChem CID 6422702) has the molecular formula C14H24N2O5 and a molecular weight of 300.36 g/mol. Its IUPAC name is butyl 2-[methyl-[2-[methyl(prop-2-enoxycarbonyl)amino]acetyl]amino]acetate.

Molecular Properties

Compound Namebutyl 2-[methyl-[2-[methyl(prop-2-enoxycarbonyl)amino]acetyl]amino]acetate
PubChem CID6422702
Molecular FormulaC14H24N2O5
Molecular Weight300.36 g/mol
Exact Mass300.17
IUPAC Namebutyl 2-[methyl-[2-[methyl(prop-2-enoxycarbonyl)amino]acetyl]amino]acetate
SMILESC=CCOC(=O)N(C)CC(=O)N(C)CC(=O)OCCCC
InChIInChI=1S/C14H24N2O5/c1-5-7-9-20-13(18)11-15(3)12(17)10-16(4)14(19)21-8-6-2/h6H,2,5,7-11H2,1,3-4H3
InChIKeyOKXQDGZWLVDXOT-UHFFFAOYSA-N
XLogP1.04
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 butyl 2-[methyl-[2-[methyl(prop-2-enoxycarbonyl)amino]acetyl]amino]acetate?
The IUPAC name of butyl 2-[methyl-[2-[methyl(prop-2-enoxycarbonyl)amino]acetyl]amino]acetate (CID 6422702) is butyl 2-[methyl-[2-[methyl(prop-2-enoxycarbonyl)amino]acetyl]amino]acetate.
What is the SMILES notation for butyl 2-[methyl-[2-[methyl(prop-2-enoxycarbonyl)amino]acetyl]amino]acetate?
The canonical SMILES for butyl 2-[methyl-[2-[methyl(prop-2-enoxycarbonyl)amino]acetyl]amino]acetate is C=CCOC(=O)N(C)CC(=O)N(C)CC(=O)OCCCC.
What is the InChIKey of butyl 2-[methyl-[2-[methyl(prop-2-enoxycarbonyl)amino]acetyl]amino]acetate?
The InChIKey is OKXQDGZWLVDXOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O5/c1-5-7-9-20-13(18)11-15(3)12(17)10-16(4)14(19)21-8-6-2/h6H,2,5,7-11H2,1,3-4H3.
What are the key properties of butyl 2-[methyl-[2-[methyl(prop-2-enoxycarbonyl)amino]acetyl]amino]acetate?
butyl 2-[methyl-[2-[methyl(prop-2-enoxycarbonyl)amino]acetyl]amino]acetate has a molecular weight of 300.36 g/mol, XLogP of 1.04, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 2-[methyl-[2-[methyl(prop-2-enoxycarbonyl)amino]acetyl]amino]acetate is sourced from PubChem (CID 6422702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).