methyl (2R)-2-(4-acetamidophenoxy)tetradecanoate

C23H37NO4 — CID 98093426

IUPACmethyl (2R)-2-(4-acetamidophenoxy)tetradecanoate
SMILESCCCCCCCCCCCC[C@@H](Oc1ccc(NC(C)=O)cc1)C(=O)OC
InChIInChI=1S/C23H37NO4/c1-4-5-6-7-8-9-10-11-12-13-14-22(23(26)27-3)28-21-17-15-20(16-18-21)24-19(2)25/h15-18,22H,4-14H2,1-3H3,(H,24,25)/t22-/m1/s1
InChIKeyCDRWELMQOGDRDI-JOCHJYFZSA-N
MW391.55 g/mol
LogP5.88
Rot. Bonds15

About methyl (2R)-2-(4-acetamidophenoxy)tetradecanoate

methyl (2R)-2-(4-acetamidophenoxy)tetradecanoate (PubChem CID 98093426) has the molecular formula C23H37NO4 and a molecular weight of 391.55 g/mol. Its IUPAC name is methyl (2R)-2-(4-acetamidophenoxy)tetradecanoate.

Molecular Properties

Compound Namemethyl (2R)-2-(4-acetamidophenoxy)tetradecanoate
PubChem CID98093426
Molecular FormulaC23H37NO4
Molecular Weight391.55 g/mol
Exact Mass391.27
IUPAC Namemethyl (2R)-2-(4-acetamidophenoxy)tetradecanoate
SMILESCCCCCCCCCCCC[C@@H](Oc1ccc(NC(C)=O)cc1)C(=O)OC
InChIInChI=1S/C23H37NO4/c1-4-5-6-7-8-9-10-11-12-13-14-22(23(26)27-3)28-21-17-15-20(16-18-21)24-19(2)25/h15-18,22H,4-14H2,1-3H3,(H,24,25)/t22-/m1/s1
InChIKeyCDRWELMQOGDRDI-JOCHJYFZSA-N
XLogP5.88
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.55
LogP ≤ 55.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[4-(2-oxopropyl)phenoxy]octanoate
CID 139655960
methyl 2-(4-nitrophenoxy)dodecanoate
CID 67897730
ethyl 2-phenoxydecanoate
CID 101000092
methyl 2-[4-(4-chlorobenzoyl)phenoxy]hexanoate
CID 146594128
N-[4-(4-pentoxybutoxy)phenyl]acetamide
CID 142679131
methyl 2-(4-chlorophenoxy)pentanoate
CID 15744144
ethyl 2-(4-phenylphenoxy)heptanoate
CID 154127822
methyl 2-anthracen-1-yloxypentadecanoate
CID 175607148
methyl 2-anthracen-1-yloxyhexadecanoate
CID 175607188
2-phenoxy-N-phenylhexanamide
CID 70624716
4-(1-carboxydecoxy)benzoic acid
CID 23304106
methyl 2-methoxyheptanoate
CID 87952097

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-(4-acetamidophenoxy)tetradecanoate?
The IUPAC name of methyl (2R)-2-(4-acetamidophenoxy)tetradecanoate (CID 98093426) is methyl (2R)-2-(4-acetamidophenoxy)tetradecanoate.
What is the SMILES notation for methyl (2R)-2-(4-acetamidophenoxy)tetradecanoate?
The canonical SMILES for methyl (2R)-2-(4-acetamidophenoxy)tetradecanoate is CCCCCCCCCCCC[C@@H](Oc1ccc(NC(C)=O)cc1)C(=O)OC.
What is the InChIKey of methyl (2R)-2-(4-acetamidophenoxy)tetradecanoate?
The InChIKey is CDRWELMQOGDRDI-JOCHJYFZSA-N. The full InChI is InChI=1S/C23H37NO4/c1-4-5-6-7-8-9-10-11-12-13-14-22(23(26)27-3)28-21-17-15-20(16-18-21)24-19(2)25/h15-18,22H,4-14H2,1-3H3,(H,24,25)/t22-/m1/s1.
What are the key properties of methyl (2R)-2-(4-acetamidophenoxy)tetradecanoate?
methyl (2R)-2-(4-acetamidophenoxy)tetradecanoate has a molecular weight of 391.55 g/mol, XLogP of 5.88, 15 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-(4-acetamidophenoxy)tetradecanoate is sourced from PubChem (CID 98093426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).