butyl 2-[acetyl-(2-butoxy-2-oxoethyl)amino]acetate

C14H25NO5 — CID 90476080

IUPACbutyl 2-[acetyl-(2-butoxy-2-oxoethyl)amino]acetate
SMILESCCCCOC(=O)CN(CC(=O)OCCCC)C(C)=O
InChIInChI=1S/C14H25NO5/c1-4-6-8-19-13(17)10-15(12(3)16)11-14(18)20-9-7-5-2/h4-11H2,1-3H3
InChIKeyHHTICBFZAVYLBM-UHFFFAOYSA-N
MW287.36 g/mol
LogP1.52
Rot. Bonds10

About butyl 2-[acetyl-(2-butoxy-2-oxoethyl)amino]acetate

butyl 2-[acetyl-(2-butoxy-2-oxoethyl)amino]acetate (PubChem CID 90476080) has the molecular formula C14H25NO5 and a molecular weight of 287.36 g/mol. Its IUPAC name is butyl 2-[acetyl-(2-butoxy-2-oxoethyl)amino]acetate.

Molecular Properties

Compound Namebutyl 2-[acetyl-(2-butoxy-2-oxoethyl)amino]acetate
PubChem CID90476080
Molecular FormulaC14H25NO5
Molecular Weight287.36 g/mol
Exact Mass287.17
IUPAC Namebutyl 2-[acetyl-(2-butoxy-2-oxoethyl)amino]acetate
SMILESCCCCOC(=O)CN(CC(=O)OCCCC)C(C)=O
InChIInChI=1S/C14H25NO5/c1-4-6-8-19-13(17)10-15(12(3)16)11-14(18)20-9-7-5-2/h4-11H2,1-3H3
InChIKeyHHTICBFZAVYLBM-UHFFFAOYSA-N
XLogP1.52
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N,N-Bis(acetoxyethyl)acetamide
CID 21430
Ethyl N,N-diethyloxamate
CID 138489
N(2-Acetoxyethyl)-N-ethylacetamide
CID 27397
Glycine, N-(chlorocarbonyl)-N-(2-ethoxy-2-oxoethyl)-, ethyl ester
CID 16203518
Ethyl N-(2-ethoxy-2-oxoethyl)-N-methylglycinate
CID 79432
(Acetyl-methoxycarbonylmethyl-amino)-acetic acid methyl ester
CID 224229
Ethyl n-(ethoxycarbonyl)-n-methylglycinate
CID 265106
Acetamide, N-(2-butoxyethyl)-N-ethyl-
CID 3050601
Ethyl 2-[(2-ethoxy-2-oxoethyl)-methylamino]-2-oxoacetate
CID 14985599
Ethyl 2-oxo-2-(n,n-dipropylamino)acetate
CID 300609
Glycine, N,N-bis(2-ethoxyethyl)-, ethyl ester
CID 24838487
Sarcosine, N-isobutyryl-, ethyl ester
CID 61597567

Frequently Asked Questions

What is the IUPAC name of butyl 2-[acetyl-(2-butoxy-2-oxoethyl)amino]acetate?
The IUPAC name of butyl 2-[acetyl-(2-butoxy-2-oxoethyl)amino]acetate (CID 90476080) is butyl 2-[acetyl-(2-butoxy-2-oxoethyl)amino]acetate.
What is the SMILES notation for butyl 2-[acetyl-(2-butoxy-2-oxoethyl)amino]acetate?
The canonical SMILES for butyl 2-[acetyl-(2-butoxy-2-oxoethyl)amino]acetate is CCCCOC(=O)CN(CC(=O)OCCCC)C(C)=O.
What is the InChIKey of butyl 2-[acetyl-(2-butoxy-2-oxoethyl)amino]acetate?
The InChIKey is HHTICBFZAVYLBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO5/c1-4-6-8-19-13(17)10-15(12(3)16)11-14(18)20-9-7-5-2/h4-11H2,1-3H3.
What are the key properties of butyl 2-[acetyl-(2-butoxy-2-oxoethyl)amino]acetate?
butyl 2-[acetyl-(2-butoxy-2-oxoethyl)amino]acetate has a molecular weight of 287.36 g/mol, XLogP of 1.52, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 2-[acetyl-(2-butoxy-2-oxoethyl)amino]acetate is sourced from PubChem (CID 90476080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).