decyl 2-(phenylmethoxycarbonylamino)acetate

C20H31NO4 — CID 10497995

IUPACdecyl 2-(phenylmethoxycarbonylamino)acetate
SMILESCCCCCCCCCCOC(=O)CNC(=O)OCc1ccccc1
InChIInChI=1S/C20H31NO4/c1-2-3-4-5-6-7-8-12-15-24-19(22)16-21-20(23)25-17-18-13-10-9-11-14-18/h9-11,13-14H,2-8,12,15-17H2,1H3,(H,21,23)
InChIKeyRRZZVFHBHCJNSN-UHFFFAOYSA-N
MW349.47 g/mol
LogP4.60
Rot. Bonds13

About decyl 2-(phenylmethoxycarbonylamino)acetate

decyl 2-(phenylmethoxycarbonylamino)acetate (PubChem CID 10497995) has the molecular formula C20H31NO4 and a molecular weight of 349.47 g/mol. Its IUPAC name is decyl 2-(phenylmethoxycarbonylamino)acetate.

Molecular Properties

Compound Namedecyl 2-(phenylmethoxycarbonylamino)acetate
PubChem CID10497995
Molecular FormulaC20H31NO4
Molecular Weight349.47 g/mol
Exact Mass349.23
IUPAC Namedecyl 2-(phenylmethoxycarbonylamino)acetate
SMILESCCCCCCCCCCOC(=O)CNC(=O)OCc1ccccc1
InChIInChI=1S/C20H31NO4/c1-2-3-4-5-6-7-8-12-15-24-19(22)16-21-20(23)25-17-18-13-10-9-11-14-18/h9-11,13-14H,2-8,12,15-17H2,1H3,(H,21,23)
InChIKeyRRZZVFHBHCJNSN-UHFFFAOYSA-N
XLogP4.60
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.47
LogP ≤ 54.60
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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Frequently Asked Questions

What is the IUPAC name of decyl 2-(phenylmethoxycarbonylamino)acetate?
The IUPAC name of decyl 2-(phenylmethoxycarbonylamino)acetate (CID 10497995) is decyl 2-(phenylmethoxycarbonylamino)acetate.
What is the SMILES notation for decyl 2-(phenylmethoxycarbonylamino)acetate?
The canonical SMILES for decyl 2-(phenylmethoxycarbonylamino)acetate is CCCCCCCCCCOC(=O)CNC(=O)OCc1ccccc1.
What is the InChIKey of decyl 2-(phenylmethoxycarbonylamino)acetate?
The InChIKey is RRZZVFHBHCJNSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31NO4/c1-2-3-4-5-6-7-8-12-15-24-19(22)16-21-20(23)25-17-18-13-10-9-11-14-18/h9-11,13-14H,2-8,12,15-17H2,1H3,(H,21,23).
What are the key properties of decyl 2-(phenylmethoxycarbonylamino)acetate?
decyl 2-(phenylmethoxycarbonylamino)acetate has a molecular weight of 349.47 g/mol, XLogP of 4.60, 13 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for decyl 2-(phenylmethoxycarbonylamino)acetate is sourced from PubChem (CID 10497995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).