(ethoxycarbonylamino) pentadecanoate

C18H35NO4 — CID 175508172

IUPAC(ethoxycarbonylamino) pentadecanoate
SMILESCCCCCCCCCCCCCCC(=O)ONC(=O)OCC
InChIInChI=1S/C18H35NO4/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17(20)23-19-18(21)22-4-2/h3-16H2,1-2H3,(H,19,21)
InChIKeyNJWVXTXHFDGISP-UHFFFAOYSA-N
MW329.48 g/mol
LogP5.28
Rot. Bonds14

About (ethoxycarbonylamino) pentadecanoate

(ethoxycarbonylamino) pentadecanoate (PubChem CID 175508172) has the molecular formula C18H35NO4 and a molecular weight of 329.48 g/mol. Its IUPAC name is (ethoxycarbonylamino) pentadecanoate.

Molecular Properties

Compound Name(ethoxycarbonylamino) pentadecanoate
PubChem CID175508172
Molecular FormulaC18H35NO4
Molecular Weight329.48 g/mol
Exact Mass329.26
IUPAC Name(ethoxycarbonylamino) pentadecanoate
SMILESCCCCCCCCCCCCCCC(=O)ONC(=O)OCC
InChIInChI=1S/C18H35NO4/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17(20)23-19-18(21)22-4-2/h3-16H2,1-2H3,(H,19,21)
InChIKeyNJWVXTXHFDGISP-UHFFFAOYSA-N
XLogP5.28
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.48
LogP ≤ 55.28
H-Bond Donors ≤ 51
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

(methoxycarbonylamino) octanoate
CID 87952242
[(2-methylpropan-2-yl)oxycarbonylamino] hexadecanoate
CID 57188346
pentakis(ethyl octanoate);hexane
CID 173194775
CID 87572227
CID 87572227
ethyl tetradecanoate
CID 89052756
ethyl undecanoate
CID 12327
acetamido hexanoate
CID 57050446
ethyl decanoate;methanol
CID 161391102
sodium;ethyl octadecanoate;hydride
CID 174731148
ethyl hexanoate;nickel(2+)
CID 162067155
ethyl hexanoate;tungsten
CID 175314088
ethyl hexanoate;mercury
CID 174624991

Frequently Asked Questions

What is the IUPAC name of (ethoxycarbonylamino) pentadecanoate?
The IUPAC name of (ethoxycarbonylamino) pentadecanoate (CID 175508172) is (ethoxycarbonylamino) pentadecanoate.
What is the SMILES notation for (ethoxycarbonylamino) pentadecanoate?
The canonical SMILES for (ethoxycarbonylamino) pentadecanoate is CCCCCCCCCCCCCCC(=O)ONC(=O)OCC.
What is the InChIKey of (ethoxycarbonylamino) pentadecanoate?
The InChIKey is NJWVXTXHFDGISP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35NO4/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17(20)23-19-18(21)22-4-2/h3-16H2,1-2H3,(H,19,21).
What are the key properties of (ethoxycarbonylamino) pentadecanoate?
(ethoxycarbonylamino) pentadecanoate has a molecular weight of 329.48 g/mol, XLogP of 5.28, 14 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (ethoxycarbonylamino) pentadecanoate is sourced from PubChem (CID 175508172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).