6-(2-prop-2-enoxyethoxymethylamino)hexylcarbamic acid

C13H26N2O4 — CID 122582786

IUPAC6-(2-prop-2-enoxyethoxymethylamino)hexylcarbamic acid
SMILESC=CCOCCOCNCCCCCCNC(=O)O
InChIInChI=1S/C13H26N2O4/c1-2-9-18-10-11-19-12-14-7-5-3-4-6-8-15-13(16)17/h2,14-15H,1,3-12H2,(H,16,17)
InChIKeyRDVBVQPIOFLWKH-UHFFFAOYSA-N
MW274.36 g/mol
LogP1.58
Rot. Bonds14

About 6-(2-prop-2-enoxyethoxymethylamino)hexylcarbamic acid

6-(2-prop-2-enoxyethoxymethylamino)hexylcarbamic acid (PubChem CID 122582786) has the molecular formula C13H26N2O4 and a molecular weight of 274.36 g/mol. Its IUPAC name is 6-(2-prop-2-enoxyethoxymethylamino)hexylcarbamic acid.

Molecular Properties

Compound Name6-(2-prop-2-enoxyethoxymethylamino)hexylcarbamic acid
PubChem CID122582786
Molecular FormulaC13H26N2O4
Molecular Weight274.36 g/mol
Exact Mass274.19
IUPAC Name6-(2-prop-2-enoxyethoxymethylamino)hexylcarbamic acid
SMILESC=CCOCCOCNCCCCCCNC(=O)O
InChIInChI=1S/C13H26N2O4/c1-2-9-18-10-11-19-12-14-7-5-3-4-6-8-15-13(16)17/h2,14-15H,1,3-12H2,(H,16,17)
InChIKeyRDVBVQPIOFLWKH-UHFFFAOYSA-N
XLogP1.58
TPSA79.82 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 51.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(2-prop-2-enoxyethoxymethylamino)hexylcarbamic acid?
The IUPAC name of 6-(2-prop-2-enoxyethoxymethylamino)hexylcarbamic acid (CID 122582786) is 6-(2-prop-2-enoxyethoxymethylamino)hexylcarbamic acid.
What is the SMILES notation for 6-(2-prop-2-enoxyethoxymethylamino)hexylcarbamic acid?
The canonical SMILES for 6-(2-prop-2-enoxyethoxymethylamino)hexylcarbamic acid is C=CCOCCOCNCCCCCCNC(=O)O.
What is the InChIKey of 6-(2-prop-2-enoxyethoxymethylamino)hexylcarbamic acid?
The InChIKey is RDVBVQPIOFLWKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O4/c1-2-9-18-10-11-19-12-14-7-5-3-4-6-8-15-13(16)17/h2,14-15H,1,3-12H2,(H,16,17).
What are the key properties of 6-(2-prop-2-enoxyethoxymethylamino)hexylcarbamic acid?
6-(2-prop-2-enoxyethoxymethylamino)hexylcarbamic acid has a molecular weight of 274.36 g/mol, XLogP of 1.58, 14 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-prop-2-enoxyethoxymethylamino)hexylcarbamic acid is sourced from PubChem (CID 122582786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).