[butoxy-(4-chlorobenzoyl)amino] acetate

C13H16ClNO4 — CID 3025705

IUPAC[butoxy-(4-chlorobenzoyl)amino] acetate
SMILESCCCCON(OC(C)=O)C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C13H16ClNO4/c1-3-4-9-18-15(19-10(2)16)13(17)11-5-7-12(14)8-6-11/h5-8H,3-4,9H2,1-2H3
InChIKeyYLNHLARXJIFUJU-UHFFFAOYSA-N
MW285.73 g/mol
LogP2.99
Rot. Bonds5

About [butoxy-(4-chlorobenzoyl)amino] acetate

[butoxy-(4-chlorobenzoyl)amino] acetate (PubChem CID 3025705) has the molecular formula C13H16ClNO4 and a molecular weight of 285.73 g/mol. Its IUPAC name is [butoxy-(4-chlorobenzoyl)amino] acetate.

Molecular Properties

Compound Name[butoxy-(4-chlorobenzoyl)amino] acetate
PubChem CID3025705
Molecular FormulaC13H16ClNO4
Molecular Weight285.73 g/mol
Exact Mass285.08
IUPAC Name[butoxy-(4-chlorobenzoyl)amino] acetate
SMILESCCCCON(OC(C)=O)C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C13H16ClNO4/c1-3-4-9-18-15(19-10(2)16)13(17)11-5-7-12(14)8-6-11/h5-8H,3-4,9H2,1-2H3
InChIKeyYLNHLARXJIFUJU-UHFFFAOYSA-N
XLogP2.99
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.73
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[butoxy-(4-methylbenzoyl)amino] acetate
CID 3025704
[butoxy-(4-phenylbenzoyl)amino] acetate
CID 57348489
2-butoxy-1-(4-chlorophenyl)ethanone
CID 43801198
heptyl 2-[(4-chlorobenzoyl)-methylamino]acetate
CID 91716467
decyl 2-[(4-chlorobenzoyl)-methylamino]acetate
CID 91716470
4-chloro-N-ethyl-N-octylbenzamide
CID 91716392
N-(4-chlorobenzoyl)-N-methylcarbamoyl chloride
CID 54256213
butyl N-[3-[(4-chlorobenzoyl)amino]-2-hydroxypropyl]carbamate
CID 145027142
N,N'-diacetyl-4-chloro-N'-(4-chlorobenzoyl)benzohydrazide
CID 3820065
S-(4-chlorophenyl) 4-butoxy-3,5-dichlorobenzenecarbothioate
CID 18848365
hexyl 2-(4-chlorophenyl)-2-oxoacetate
CID 54193037
[acetyloxy-(N-bromo-4-chloroanilino)amino] butanoate
CID 87621603

Frequently Asked Questions

What is the IUPAC name of [butoxy-(4-chlorobenzoyl)amino] acetate?
The IUPAC name of [butoxy-(4-chlorobenzoyl)amino] acetate (CID 3025705) is [butoxy-(4-chlorobenzoyl)amino] acetate.
What is the SMILES notation for [butoxy-(4-chlorobenzoyl)amino] acetate?
The canonical SMILES for [butoxy-(4-chlorobenzoyl)amino] acetate is CCCCON(OC(C)=O)C(=O)c1ccc(Cl)cc1.
What is the InChIKey of [butoxy-(4-chlorobenzoyl)amino] acetate?
The InChIKey is YLNHLARXJIFUJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO4/c1-3-4-9-18-15(19-10(2)16)13(17)11-5-7-12(14)8-6-11/h5-8H,3-4,9H2,1-2H3.
What are the key properties of [butoxy-(4-chlorobenzoyl)amino] acetate?
[butoxy-(4-chlorobenzoyl)amino] acetate has a molecular weight of 285.73 g/mol, XLogP of 2.99, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [butoxy-(4-chlorobenzoyl)amino] acetate is sourced from PubChem (CID 3025705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).