prop-2-ynyl 2-[2-(prop-2-ynoxycarbonylamino)hexanoylamino]hexanoate

C19H28N2O5 — CID 91724813

IUPACprop-2-ynyl 2-[2-(prop-2-ynoxycarbonylamino)hexanoylamino]hexanoate
SMILESC#CCOC(=O)NC(CCCC)C(=O)NC(CCCC)C(=O)OCC#C
InChIInChI=1S/C19H28N2O5/c1-5-9-11-15(21-19(24)26-14-8-4)17(22)20-16(12-10-6-2)18(23)25-13-7-3/h3-4,15-16H,5-6,9-14H2,1-2H3,(H,20,22)(H,21,24)
InChIKeyZVJSHXHPFOYQMO-UHFFFAOYSA-N
MW364.44 g/mol
LogP1.76
Rot. Bonds12

About prop-2-ynyl 2-[2-(prop-2-ynoxycarbonylamino)hexanoylamino]hexanoate

prop-2-ynyl 2-[2-(prop-2-ynoxycarbonylamino)hexanoylamino]hexanoate (PubChem CID 91724813) has the molecular formula C19H28N2O5 and a molecular weight of 364.44 g/mol. Its IUPAC name is prop-2-ynyl 2-[2-(prop-2-ynoxycarbonylamino)hexanoylamino]hexanoate.

Molecular Properties

Compound Nameprop-2-ynyl 2-[2-(prop-2-ynoxycarbonylamino)hexanoylamino]hexanoate
PubChem CID91724813
Molecular FormulaC19H28N2O5
Molecular Weight364.44 g/mol
Exact Mass364.20
IUPAC Nameprop-2-ynyl 2-[2-(prop-2-ynoxycarbonylamino)hexanoylamino]hexanoate
SMILESC#CCOC(=O)NC(CCCC)C(=O)NC(CCCC)C(=O)OCC#C
InChIInChI=1S/C19H28N2O5/c1-5-9-11-15(21-19(24)26-14-8-4)17(22)20-16(12-10-6-2)18(23)25-13-7-3/h3-4,15-16H,5-6,9-14H2,1-2H3,(H,20,22)(H,21,24)
InChIKeyZVJSHXHPFOYQMO-UHFFFAOYSA-N
XLogP1.76
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.44
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

propyl 2-[2-(methoxycarbonylamino)hexanoylamino]hexanoate
CID 91718605
tetradecyl 4-methylsulfanyl-2-(prop-2-ynoxycarbonylamino)butanoate
CID 91694302
4-methylpentyl 2-[2-(butoxycarbonylamino)hexanoylamino]hexanoate
CID 91729869
4-methylpentyl 2-[2-(ethoxycarbonylamino)hexanoylamino]hexanoate
CID 91722992
ethyl 2-(methoxycarbonylamino)hexanoate
CID 91718664
propyl 2-(methoxycarbonylamino)hexanoate
CID 91718656
hexadecyl 2-(ethoxycarbonylamino)hexanoate
CID 91723079
hexadecyl 2-(propoxycarbonylamino)hexanoate
CID 91726017
octadecyl 2-(ethoxycarbonylamino)hexanoate
CID 91723081
pentadecyl 2-(ethoxycarbonylamino)hexanoate
CID 91723089
methyl (2S)-2-[[(2R)-2-(phenylmethoxycarbonylamino)hexanoyl]amino]hexanoate
CID 91746288
2,6-bis(prop-2-ynoxycarbonylamino)hexanoic acid
CID 90390791

Frequently Asked Questions

What is the IUPAC name of prop-2-ynyl 2-[2-(prop-2-ynoxycarbonylamino)hexanoylamino]hexanoate?
The IUPAC name of prop-2-ynyl 2-[2-(prop-2-ynoxycarbonylamino)hexanoylamino]hexanoate (CID 91724813) is prop-2-ynyl 2-[2-(prop-2-ynoxycarbonylamino)hexanoylamino]hexanoate.
What is the SMILES notation for prop-2-ynyl 2-[2-(prop-2-ynoxycarbonylamino)hexanoylamino]hexanoate?
The canonical SMILES for prop-2-ynyl 2-[2-(prop-2-ynoxycarbonylamino)hexanoylamino]hexanoate is C#CCOC(=O)NC(CCCC)C(=O)NC(CCCC)C(=O)OCC#C.
What is the InChIKey of prop-2-ynyl 2-[2-(prop-2-ynoxycarbonylamino)hexanoylamino]hexanoate?
The InChIKey is ZVJSHXHPFOYQMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O5/c1-5-9-11-15(21-19(24)26-14-8-4)17(22)20-16(12-10-6-2)18(23)25-13-7-3/h3-4,15-16H,5-6,9-14H2,1-2H3,(H,20,22)(H,21,24).
What are the key properties of prop-2-ynyl 2-[2-(prop-2-ynoxycarbonylamino)hexanoylamino]hexanoate?
prop-2-ynyl 2-[2-(prop-2-ynoxycarbonylamino)hexanoylamino]hexanoate has a molecular weight of 364.44 g/mol, XLogP of 1.76, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-ynyl 2-[2-(prop-2-ynoxycarbonylamino)hexanoylamino]hexanoate is sourced from PubChem (CID 91724813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).