propyl 2-(2-methylpropoxycarbonylamino)hexanoate

C14H27NO4 — CID 91729852

IUPACpropyl 2-(2-methylpropoxycarbonylamino)hexanoate
SMILESCCCCC(NC(=O)OCC(C)C)C(=O)OCCC
InChIInChI=1S/C14H27NO4/c1-5-7-8-12(13(16)18-9-6-2)15-14(17)19-10-11(3)4/h11-12H,5-10H2,1-4H3,(H,15,17)
InChIKeyFOPGACVPLLASTD-UHFFFAOYSA-N
MW273.37 g/mol
LogP2.88
Rot. Bonds9

About propyl 2-(2-methylpropoxycarbonylamino)hexanoate

propyl 2-(2-methylpropoxycarbonylamino)hexanoate (PubChem CID 91729852) has the molecular formula C14H27NO4 and a molecular weight of 273.37 g/mol. Its IUPAC name is propyl 2-(2-methylpropoxycarbonylamino)hexanoate.

Molecular Properties

Compound Namepropyl 2-(2-methylpropoxycarbonylamino)hexanoate
PubChem CID91729852
Molecular FormulaC14H27NO4
Molecular Weight273.37 g/mol
Exact Mass273.19
IUPAC Namepropyl 2-(2-methylpropoxycarbonylamino)hexanoate
SMILESCCCCC(NC(=O)OCC(C)C)C(=O)OCCC
InChIInChI=1S/C14H27NO4/c1-5-7-8-12(13(16)18-9-6-2)15-14(17)19-10-11(3)4/h11-12H,5-10H2,1-4H3,(H,15,17)
InChIKeyFOPGACVPLLASTD-UHFFFAOYSA-N
XLogP2.88
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.37
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze propyl 2-(2-methylpropoxycarbonylamino)hexanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

propyl 2-(methoxycarbonylamino)hexanoate
CID 91718656
hexadecyl 2-(propoxycarbonylamino)hexanoate
CID 91726017
butyl (2S)-4-methyl-2-(2-methylpropoxycarbonylamino)pentanoate
CID 20837426
pentadecyl (2S)-4-methyl-2-(2-methylpropoxycarbonylamino)pentanoate
CID 20837436
propyl 2-[2-(methoxycarbonylamino)hexanoylamino]hexanoate
CID 91718605
4-methylpentyl 2-[2-(butoxycarbonylamino)hexanoylamino]hexanoate
CID 91729869
hexadecyl 2-(ethoxycarbonylamino)hexanoate
CID 91723079
octadecyl 2-(ethoxycarbonylamino)hexanoate
CID 91723081
pentadecyl 2-(ethoxycarbonylamino)hexanoate
CID 91723089
4-methylpentyl 2-[2-(ethoxycarbonylamino)hexanoylamino]hexanoate
CID 91722992
propyl 2-methylhexanoate
CID 15464658
heptyl 2-(butoxycarbonylamino)octanoate
CID 91734808

Frequently Asked Questions

What is the IUPAC name of propyl 2-(2-methylpropoxycarbonylamino)hexanoate?
The IUPAC name of propyl 2-(2-methylpropoxycarbonylamino)hexanoate (CID 91729852) is propyl 2-(2-methylpropoxycarbonylamino)hexanoate.
What is the SMILES notation for propyl 2-(2-methylpropoxycarbonylamino)hexanoate?
The canonical SMILES for propyl 2-(2-methylpropoxycarbonylamino)hexanoate is CCCCC(NC(=O)OCC(C)C)C(=O)OCCC.
What is the InChIKey of propyl 2-(2-methylpropoxycarbonylamino)hexanoate?
The InChIKey is FOPGACVPLLASTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO4/c1-5-7-8-12(13(16)18-9-6-2)15-14(17)19-10-11(3)4/h11-12H,5-10H2,1-4H3,(H,15,17).
What are the key properties of propyl 2-(2-methylpropoxycarbonylamino)hexanoate?
propyl 2-(2-methylpropoxycarbonylamino)hexanoate has a molecular weight of 273.37 g/mol, XLogP of 2.88, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 2-(2-methylpropoxycarbonylamino)hexanoate is sourced from PubChem (CID 91729852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).