oxan-4-ylmethyl 2-(hexan-3-ylamino)propanoate

C15H29NO3 — CID 155276878

IUPACoxan-4-ylmethyl 2-(hexan-3-ylamino)propanoate
SMILESCCCC(CC)NC(C)C(=O)OCC1CCOCC1
InChIInChI=1S/C15H29NO3/c1-4-6-14(5-2)16-12(3)15(17)19-11-13-7-9-18-10-8-13/h12-14,16H,4-11H2,1-3H3
InChIKeyFOISROKCGKBZFK-UHFFFAOYSA-N
MW271.40 g/mol
LogP2.51
Rot. Bonds8

About oxan-4-ylmethyl 2-(hexan-3-ylamino)propanoate

oxan-4-ylmethyl 2-(hexan-3-ylamino)propanoate (PubChem CID 155276878) has the molecular formula C15H29NO3 and a molecular weight of 271.40 g/mol. Its IUPAC name is oxan-4-ylmethyl 2-(hexan-3-ylamino)propanoate.

Molecular Properties

Compound Nameoxan-4-ylmethyl 2-(hexan-3-ylamino)propanoate
PubChem CID155276878
Molecular FormulaC15H29NO3
Molecular Weight271.40 g/mol
Exact Mass271.21
IUPAC Nameoxan-4-ylmethyl 2-(hexan-3-ylamino)propanoate
SMILESCCCC(CC)NC(C)C(=O)OCC1CCOCC1
InChIInChI=1S/C15H29NO3/c1-4-6-14(5-2)16-12(3)15(17)19-11-13-7-9-18-10-8-13/h12-14,16H,4-11H2,1-3H3
InChIKeyFOISROKCGKBZFK-UHFFFAOYSA-N
XLogP2.51
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of oxan-4-ylmethyl 2-(hexan-3-ylamino)propanoate?
The IUPAC name of oxan-4-ylmethyl 2-(hexan-3-ylamino)propanoate (CID 155276878) is oxan-4-ylmethyl 2-(hexan-3-ylamino)propanoate.
What is the SMILES notation for oxan-4-ylmethyl 2-(hexan-3-ylamino)propanoate?
The canonical SMILES for oxan-4-ylmethyl 2-(hexan-3-ylamino)propanoate is CCCC(CC)NC(C)C(=O)OCC1CCOCC1.
What is the InChIKey of oxan-4-ylmethyl 2-(hexan-3-ylamino)propanoate?
The InChIKey is FOISROKCGKBZFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO3/c1-4-6-14(5-2)16-12(3)15(17)19-11-13-7-9-18-10-8-13/h12-14,16H,4-11H2,1-3H3.
What are the key properties of oxan-4-ylmethyl 2-(hexan-3-ylamino)propanoate?
oxan-4-ylmethyl 2-(hexan-3-ylamino)propanoate has a molecular weight of 271.40 g/mol, XLogP of 2.51, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for oxan-4-ylmethyl 2-(hexan-3-ylamino)propanoate is sourced from PubChem (CID 155276878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).