[butoxy-(4-methylbenzoyl)amino] acetate

C14H19NO4 — CID 3025704

IUPAC[butoxy-(4-methylbenzoyl)amino] acetate
SMILESCCCCON(OC(C)=O)C(=O)c1ccc(C)cc1
InChIInChI=1S/C14H19NO4/c1-4-5-10-18-15(19-12(3)16)14(17)13-8-6-11(2)7-9-13/h6-9H,4-5,10H2,1-3H3
InChIKeyIONRBSHJWPHAPH-UHFFFAOYSA-N
MW265.31 g/mol
LogP2.65
Rot. Bonds5

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

[butoxy-(4-methylbenzoyl)amino] acetate (PubChem CID 3025704) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is [butoxy-(4-methylbenzoyl)amino] acetate.

Molecular Properties

Compound Name[butoxy-(4-methylbenzoyl)amino] acetate
PubChem CID3025704
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name[butoxy-(4-methylbenzoyl)amino] acetate
SMILESCCCCON(OC(C)=O)C(=O)c1ccc(C)cc1
InChIInChI=1S/C14H19NO4/c1-4-5-10-18-15(19-12(3)16)14(17)13-8-6-11(2)7-9-13/h6-9H,4-5,10H2,1-3H3
InChIKeyIONRBSHJWPHAPH-UHFFFAOYSA-N
XLogP2.65
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 52.65
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-phenylbenzoyl)amino] acetate
CID 57348489
[butoxy-(4-chlorobenzoyl)amino] acetate
CID 3025705
butyl 2-[methyl-(4-methylbenzoyl)amino]acetate
CID 91710677
1-(4-pentoxyphenyl)ethanone;1,4-xylene
CID 142206673
S-(4-methylphenyl) 4-hexoxybenzenecarbothioate
CID 71385543
4-[butyl-(4-methylbenzoyl)amino]benzoic acid
CID 20787968
(4-methylphenyl) 4-butoxybenzoate
CID 23011518
hexane;methyl 4-methylbenzoate
CID 143689226
ethane;4-methyl-N,N-dipropylbenzamide
CID 143600655
triacontyl 4-methylbenzoate
CID 151561667
N-acetyl-4-methyl-N-(4-methylphenyl)benzamide
CID 163721412
butyl 2-cyano-3,3-bis(4-methylphenyl)prop-2-enoate
CID 18721051

Frequently Asked Questions

What is the IUPAC name of [butoxy-(4-methylbenzoyl)amino] acetate?
The IUPAC name of [butoxy-(4-methylbenzoyl)amino] acetate (CID 3025704) is [butoxy-(4-methylbenzoyl)amino] acetate.
What is the SMILES notation for [butoxy-(4-methylbenzoyl)amino] acetate?
The canonical SMILES for [butoxy-(4-methylbenzoyl)amino] acetate is CCCCON(OC(C)=O)C(=O)c1ccc(C)cc1.
What is the InChIKey of [butoxy-(4-methylbenzoyl)amino] acetate?
The InChIKey is IONRBSHJWPHAPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-4-5-10-18-15(19-12(3)16)14(17)13-8-6-11(2)7-9-13/h6-9H,4-5,10H2,1-3H3.
What are the key properties of [butoxy-(4-methylbenzoyl)amino] acetate?
[butoxy-(4-methylbenzoyl)amino] acetate has a molecular weight of 265.31 g/mol, XLogP of 2.65, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [butoxy-(4-methylbenzoyl)amino] acetate is sourced from PubChem (CID 3025704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).