4-propoxyhexan-2-yl 2-formamidopropanoate

C13H25NO4 — CID 146481405

IUPAC4-propoxyhexan-2-yl 2-formamidopropanoate
SMILESCCCOC(CC)CC(C)OC(=O)C(C)NC=O
InChIInChI=1S/C13H25NO4/c1-5-7-17-12(6-2)8-10(3)18-13(16)11(4)14-9-15/h9-12H,5-8H2,1-4H3,(H,14,15)
InChIKeyMWSPQPJOBBQHSH-UHFFFAOYSA-N
MW259.35 g/mol
LogP1.65
Rot. Bonds10

About 4-propoxyhexan-2-yl 2-formamidopropanoate

4-propoxyhexan-2-yl 2-formamidopropanoate (PubChem CID 146481405) has the molecular formula C13H25NO4 and a molecular weight of 259.35 g/mol. Its IUPAC name is 4-propoxyhexan-2-yl 2-formamidopropanoate.

Molecular Properties

Compound Name4-propoxyhexan-2-yl 2-formamidopropanoate
PubChem CID146481405
Molecular FormulaC13H25NO4
Molecular Weight259.35 g/mol
Exact Mass259.18
IUPAC Name4-propoxyhexan-2-yl 2-formamidopropanoate
SMILESCCCOC(CC)CC(C)OC(=O)C(C)NC=O
InChIInChI=1S/C13H25NO4/c1-5-7-17-12(6-2)8-10(3)18-13(16)11(4)14-9-15/h9-12H,5-8H2,1-4H3,(H,14,15)
InChIKeyMWSPQPJOBBQHSH-UHFFFAOYSA-N
XLogP1.65
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-propoxyhexan-2-yl 4-methylpentanoate
CID 145114470
(3-methyl-4-propoxybutan-2-yl) 2-formamidopropanoate
CID 146481418
methyl (2R)-2-formamidopropanoate
CID 11651157
[3-(methylcarbamoyloxy)-2-propoxypropyl] N-methylcarbamate;N-methylformamide
CID 161009364
2-methoxy-4-(2-methoxyethoxy)hexane
CID 118459272
N-methyl-2-propoxybutan-1-amine
CID 62452056
2-propoxybutyl formate
CID 56995849
2-formamido-N-propylpropanamide
CID 64990441
1-(1-hydroxypropan-2-yloxy)-4-propoxyhexan-2-ol
CID 174990741
ethyl (2S)-2-formamido-4-methylpentanoate
CID 54441995
2-[5-(2-methoxyethoxy)hexan-3-yloxy]ethyl 2-methylprop-2-enoate
CID 23599748
1-O-methyl 4-O-(1-propoxyethyl) but-2-enedioate
CID 54282781

Frequently Asked Questions

What is the IUPAC name of 4-propoxyhexan-2-yl 2-formamidopropanoate?
The IUPAC name of 4-propoxyhexan-2-yl 2-formamidopropanoate (CID 146481405) is 4-propoxyhexan-2-yl 2-formamidopropanoate.
What is the SMILES notation for 4-propoxyhexan-2-yl 2-formamidopropanoate?
The canonical SMILES for 4-propoxyhexan-2-yl 2-formamidopropanoate is CCCOC(CC)CC(C)OC(=O)C(C)NC=O.
What is the InChIKey of 4-propoxyhexan-2-yl 2-formamidopropanoate?
The InChIKey is MWSPQPJOBBQHSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO4/c1-5-7-17-12(6-2)8-10(3)18-13(16)11(4)14-9-15/h9-12H,5-8H2,1-4H3,(H,14,15).
What are the key properties of 4-propoxyhexan-2-yl 2-formamidopropanoate?
4-propoxyhexan-2-yl 2-formamidopropanoate has a molecular weight of 259.35 g/mol, XLogP of 1.65, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propoxyhexan-2-yl 2-formamidopropanoate is sourced from PubChem (CID 146481405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).