(5-acetyl-2-methoxyphenyl)methyl 6-(carbamoylamino)hexanoate

C17H24N2O5 — CID 8860206

IUPAC(5-acetyl-2-methoxyphenyl)methyl 6-(carbamoylamino)hexanoate
SMILESCOc1ccc(C(C)=O)cc1COC(=O)CCCCCNC(N)=O
InChIInChI=1S/C17H24N2O5/c1-12(20)13-7-8-15(23-2)14(10-13)11-24-16(21)6-4-3-5-9-19-17(18)22/h7-8,10H,3-6,9,11H2,1-2H3,(H3,18,19,22)
InChIKeyBAXMMSODDSUCPX-UHFFFAOYSA-N
MW336.39 g/mol
LogP2.17
Rot. Bonds10

About (5-acetyl-2-methoxyphenyl)methyl 6-(carbamoylamino)hexanoate

(5-acetyl-2-methoxyphenyl)methyl 6-(carbamoylamino)hexanoate (PubChem CID 8860206) has the molecular formula C17H24N2O5 and a molecular weight of 336.39 g/mol. Its IUPAC name is (5-acetyl-2-methoxyphenyl)methyl 6-(carbamoylamino)hexanoate.

Molecular Properties

Compound Name(5-acetyl-2-methoxyphenyl)methyl 6-(carbamoylamino)hexanoate
PubChem CID8860206
Molecular FormulaC17H24N2O5
Molecular Weight336.39 g/mol
Exact Mass336.17
IUPAC Name(5-acetyl-2-methoxyphenyl)methyl 6-(carbamoylamino)hexanoate
SMILESCOc1ccc(C(C)=O)cc1COC(=O)CCCCCNC(N)=O
InChIInChI=1S/C17H24N2O5/c1-12(20)13-7-8-15(23-2)14(10-13)11-24-16(21)6-4-3-5-9-19-17(18)22/h7-8,10H,3-6,9,11H2,1-2H3,(H3,18,19,22)
InChIKeyBAXMMSODDSUCPX-UHFFFAOYSA-N
XLogP2.17
TPSA107.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(5-acetyl-2-methoxyphenyl)methyl 3-(benzenesulfonamido)propanoate
CID 7909301
(5-acetyl-2-methoxyphenyl)methyl 3-[(3,4-dimethylphenyl)sulfonylamino]propanoate
CID 24978644
(5-acetyl-2-methoxyphenyl)methyl 3-[(3-chlorophenyl)sulfonylamino]propanoate
CID 41035641
[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl 6-(carbamoylamino)hexanoate
CID 8863101
(5-acetyl-2-methoxyphenyl)methyl 2-[(4-fluorobenzoyl)amino]acetate
CID 2121117
2-(5-acetyl-2-methoxyphenyl)-N-pentylacetamide
CID 78791662
2-(5-acetyl-2-methoxyphenyl)-N-(3-aminopropyl)acetamide
CID 119404836
(5-acetyl-2-methoxyphenyl)methyl 2-[[4-(trifluoromethyl)benzoyl]amino]acetate
CID 40582967
(5-acetyl-2-methoxyphenyl)methyl pyridine-4-carboxylate
CID 2626045
(5-acetyl-2-methoxyphenyl)methyl 2,3,4,5,6-pentamethylbenzoate
CID 7235428
(5-acetyl-2-methoxyphenyl)methyl 4-(methylsulfamoyl)benzoate
CID 46670202
(5-acetyl-2-methoxyphenyl)methyl 2-[(3-methoxybenzoyl)amino]acetate
CID 7882051

Frequently Asked Questions

What is the IUPAC name of (5-acetyl-2-methoxyphenyl)methyl 6-(carbamoylamino)hexanoate?
The IUPAC name of (5-acetyl-2-methoxyphenyl)methyl 6-(carbamoylamino)hexanoate (CID 8860206) is (5-acetyl-2-methoxyphenyl)methyl 6-(carbamoylamino)hexanoate.
What is the SMILES notation for (5-acetyl-2-methoxyphenyl)methyl 6-(carbamoylamino)hexanoate?
The canonical SMILES for (5-acetyl-2-methoxyphenyl)methyl 6-(carbamoylamino)hexanoate is COc1ccc(C(C)=O)cc1COC(=O)CCCCCNC(N)=O.
What is the InChIKey of (5-acetyl-2-methoxyphenyl)methyl 6-(carbamoylamino)hexanoate?
The InChIKey is BAXMMSODDSUCPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O5/c1-12(20)13-7-8-15(23-2)14(10-13)11-24-16(21)6-4-3-5-9-19-17(18)22/h7-8,10H,3-6,9,11H2,1-2H3,(H3,18,19,22).
What are the key properties of (5-acetyl-2-methoxyphenyl)methyl 6-(carbamoylamino)hexanoate?
(5-acetyl-2-methoxyphenyl)methyl 6-(carbamoylamino)hexanoate has a molecular weight of 336.39 g/mol, XLogP of 2.17, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-acetyl-2-methoxyphenyl)methyl 6-(carbamoylamino)hexanoate is sourced from PubChem (CID 8860206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).