propyl 2-[2-(methoxycarbonylamino)hexanoylamino]hexanoate

C17H32N2O5 — CID 91718605

IUPACpropyl 2-[2-(methoxycarbonylamino)hexanoylamino]hexanoate
SMILESCCCCC(NC(=O)OC)C(=O)NC(CCCC)C(=O)OCCC
InChIInChI=1S/C17H32N2O5/c1-5-8-10-13(19-17(22)23-4)15(20)18-14(11-9-6-2)16(21)24-12-7-3/h13-14H,5-12H2,1-4H3,(H,18,20)(H,19,22)
InChIKeyVGZDVNQPQKMROU-UHFFFAOYSA-N
MW344.45 g/mol
LogP2.53
Rot. Bonds12

About propyl 2-[2-(methoxycarbonylamino)hexanoylamino]hexanoate

propyl 2-[2-(methoxycarbonylamino)hexanoylamino]hexanoate (PubChem CID 91718605) has the molecular formula C17H32N2O5 and a molecular weight of 344.45 g/mol. Its IUPAC name is propyl 2-[2-(methoxycarbonylamino)hexanoylamino]hexanoate.

Molecular Properties

Compound Namepropyl 2-[2-(methoxycarbonylamino)hexanoylamino]hexanoate
PubChem CID91718605
Molecular FormulaC17H32N2O5
Molecular Weight344.45 g/mol
Exact Mass344.23
IUPAC Namepropyl 2-[2-(methoxycarbonylamino)hexanoylamino]hexanoate
SMILESCCCCC(NC(=O)OC)C(=O)NC(CCCC)C(=O)OCCC
InChIInChI=1S/C17H32N2O5/c1-5-8-10-13(19-17(22)23-4)15(20)18-14(11-9-6-2)16(21)24-12-7-3/h13-14H,5-12H2,1-4H3,(H,18,20)(H,19,22)
InChIKeyVGZDVNQPQKMROU-UHFFFAOYSA-N
XLogP2.53
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.45
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

propyl 2-(methoxycarbonylamino)hexanoate
CID 91718656
ethyl 2-(methoxycarbonylamino)hexanoate
CID 91718664
pentadecyl 2-(methoxycarbonylamino)octanoate
CID 91726033
4-methylpentyl 2-[2-(butoxycarbonylamino)hexanoylamino]hexanoate
CID 91729869
hexadecyl 2-(propoxycarbonylamino)hexanoate
CID 91726017
4-methylpentyl 2-[2-(ethoxycarbonylamino)hexanoylamino]hexanoate
CID 91722992
propyl 2-(2-methylpropoxycarbonylamino)hexanoate
CID 91729852
propyl (2R)-2-(methoxycarbonylamino)-4-methylsulfanylbutanoate
CID 102379384
prop-2-ynyl 2-[2-(prop-2-ynoxycarbonylamino)hexanoylamino]hexanoate
CID 91724813
methyl N-[(3R)-2-oxoheptan-3-yl]carbamate
CID 58257437
butyl (2S)-2-(methoxycarbonylamino)-4-methylsulfanylbutanoate
CID 102379373
hexadecyl 2-(ethoxycarbonylamino)hexanoate
CID 91723079

Frequently Asked Questions

What is the IUPAC name of propyl 2-[2-(methoxycarbonylamino)hexanoylamino]hexanoate?
The IUPAC name of propyl 2-[2-(methoxycarbonylamino)hexanoylamino]hexanoate (CID 91718605) is propyl 2-[2-(methoxycarbonylamino)hexanoylamino]hexanoate.
What is the SMILES notation for propyl 2-[2-(methoxycarbonylamino)hexanoylamino]hexanoate?
The canonical SMILES for propyl 2-[2-(methoxycarbonylamino)hexanoylamino]hexanoate is CCCCC(NC(=O)OC)C(=O)NC(CCCC)C(=O)OCCC.
What is the InChIKey of propyl 2-[2-(methoxycarbonylamino)hexanoylamino]hexanoate?
The InChIKey is VGZDVNQPQKMROU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O5/c1-5-8-10-13(19-17(22)23-4)15(20)18-14(11-9-6-2)16(21)24-12-7-3/h13-14H,5-12H2,1-4H3,(H,18,20)(H,19,22).
What are the key properties of propyl 2-[2-(methoxycarbonylamino)hexanoylamino]hexanoate?
propyl 2-[2-(methoxycarbonylamino)hexanoylamino]hexanoate has a molecular weight of 344.45 g/mol, XLogP of 2.53, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 2-[2-(methoxycarbonylamino)hexanoylamino]hexanoate is sourced from PubChem (CID 91718605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).