(3-methoxyphenyl) 2-(pentanoylamino)ethyl phosphate

C14H21NO6P- — CID 18378300

IUPAC(3-methoxyphenyl) 2-(pentanoylamino)ethyl phosphate
SMILESCCCCC(=O)NCCOP(=O)([O-])Oc1cccc(OC)c1
InChIInChI=1S/C14H22NO6P/c1-3-4-8-14(16)15-9-10-20-22(17,18)21-13-7-5-6-12(11-13)19-2/h5-7,11H,3-4,8-10H2,1-2H3,(H,15,16)(H,17,18)/p-1
InChIKeySEXKZGDCFUUCSD-UHFFFAOYSA-M
MW330.30 g/mol
LogP1.87
Rot. Bonds10

About (3-methoxyphenyl) 2-(pentanoylamino)ethyl phosphate

(3-methoxyphenyl) 2-(pentanoylamino)ethyl phosphate (PubChem CID 18378300) has the molecular formula C14H21NO6P- and a molecular weight of 330.30 g/mol. Its IUPAC name is (3-methoxyphenyl) 2-(pentanoylamino)ethyl phosphate.

Molecular Properties

Compound Name(3-methoxyphenyl) 2-(pentanoylamino)ethyl phosphate
PubChem CID18378300
Molecular FormulaC14H21NO6P-
Molecular Weight330.30 g/mol
Exact Mass330.11
IUPAC Name(3-methoxyphenyl) 2-(pentanoylamino)ethyl phosphate
SMILESCCCCC(=O)NCCOP(=O)([O-])Oc1cccc(OC)c1
InChIInChI=1S/C14H22NO6P/c1-3-4-8-14(16)15-9-10-20-22(17,18)21-13-7-5-6-12(11-13)19-2/h5-7,11H,3-4,8-10H2,1-2H3,(H,15,16)(H,17,18)/p-1
InChIKeySEXKZGDCFUUCSD-UHFFFAOYSA-M
XLogP1.87
TPSA96.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.30
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(3-methoxyphenoxy)propyl]cyclopropanecarboxamide
CID 49865268
N-[(2S)-2-(3-methoxyphenoxy)propyl]cyclopropanecarboxamide
CID 46935150
N-[2-(3-methoxyphenoxy)ethyl]acetamide
CID 44436051
N-[2-(3-methoxyphenoxy)propyl]acetamide
CID 49865149
N-[(2R)-2-(3-methoxyphenoxy)propyl]acetamide
CID 49865203
N-[(2S)-2-(3-methoxyphenoxy)propyl]acetamide
CID 49865204
N-[(2R)-2-(3-methoxyphenoxy)propyl]cyclopropanecarboxamide
CID 49865269
N-[2-(3-methoxyphenoxy)propyl]butanamide
CID 49865319
N-[(2R)-2-(3-methoxyphenoxy)propyl]butanamide
CID 49865320
N-[(2S)-2-(3-methoxyphenoxy)propyl]butanamide
CID 49865321
N-[2-[3-(2-acetamidoethoxy)phenoxy]ethyl]acetamide
CID 2292467
N-(2-hydroxyethyl)-6-(3-hydroxyphenoxy)hexanamide
CID 11550739

Frequently Asked Questions

What is the IUPAC name of (3-methoxyphenyl) 2-(pentanoylamino)ethyl phosphate?
The IUPAC name of (3-methoxyphenyl) 2-(pentanoylamino)ethyl phosphate (CID 18378300) is (3-methoxyphenyl) 2-(pentanoylamino)ethyl phosphate.
What is the SMILES notation for (3-methoxyphenyl) 2-(pentanoylamino)ethyl phosphate?
The canonical SMILES for (3-methoxyphenyl) 2-(pentanoylamino)ethyl phosphate is CCCCC(=O)NCCOP(=O)([O-])Oc1cccc(OC)c1.
What is the InChIKey of (3-methoxyphenyl) 2-(pentanoylamino)ethyl phosphate?
The InChIKey is SEXKZGDCFUUCSD-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H22NO6P/c1-3-4-8-14(16)15-9-10-20-22(17,18)21-13-7-5-6-12(11-13)19-2/h5-7,11H,3-4,8-10H2,1-2H3,(H,15,16)(H,17,18)/p-1.
What are the key properties of (3-methoxyphenyl) 2-(pentanoylamino)ethyl phosphate?
(3-methoxyphenyl) 2-(pentanoylamino)ethyl phosphate has a molecular weight of 330.30 g/mol, XLogP of 1.87, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxyphenyl) 2-(pentanoylamino)ethyl phosphate is sourced from PubChem (CID 18378300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).