propan-2-yl N-[2-[2-[2-[2-(hydroxymethoxy)ethoxy]ethoxy]ethoxy]ethyl]carbamate

C13H27NO7 — CID 162683918

IUPACpropan-2-yl N-[2-[2-[2-[2-(hydroxymethoxy)ethoxy]ethoxy]ethoxy]ethyl]carbamate
SMILESCC(C)OC(=O)NCCOCCOCCOCCOCO
InChIInChI=1S/C13H27NO7/c1-12(2)21-13(16)14-3-4-17-5-6-18-7-8-19-9-10-20-11-15/h12,15H,3-11H2,1-2H3,(H,14,16)
InChIKeySLDLKDLIVFDYAX-UHFFFAOYSA-N
MW309.36 g/mol
LogP0.14
Rot. Bonds14

About propan-2-yl N-[2-[2-[2-[2-(hydroxymethoxy)ethoxy]ethoxy]ethoxy]ethyl]carbamate

propan-2-yl N-[2-[2-[2-[2-(hydroxymethoxy)ethoxy]ethoxy]ethoxy]ethyl]carbamate (PubChem CID 162683918) has the molecular formula C13H27NO7 and a molecular weight of 309.36 g/mol. Its IUPAC name is propan-2-yl N-[2-[2-[2-[2-(hydroxymethoxy)ethoxy]ethoxy]ethoxy]ethyl]carbamate.

Molecular Properties

Compound Namepropan-2-yl N-[2-[2-[2-[2-(hydroxymethoxy)ethoxy]ethoxy]ethoxy]ethyl]carbamate
PubChem CID162683918
Molecular FormulaC13H27NO7
Molecular Weight309.36 g/mol
Exact Mass309.18
IUPAC Namepropan-2-yl N-[2-[2-[2-[2-(hydroxymethoxy)ethoxy]ethoxy]ethoxy]ethyl]carbamate
SMILESCC(C)OC(=O)NCCOCCOCCOCCOCO
InChIInChI=1S/C13H27NO7/c1-12(2)21-13(16)14-3-4-17-5-6-18-7-8-19-9-10-20-11-15/h12,15H,3-11H2,1-2H3,(H,14,16)
InChIKeySLDLKDLIVFDYAX-UHFFFAOYSA-N
XLogP0.14
TPSA95.48 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.36
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

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CID 116656095
2-(propan-2-yloxycarbonylamino)ethyl carbonochloridate
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propan-2-yl N-(3-ethoxypropyl)carbamate
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propan-2-yl N-(2-chloroethyl)carbamate
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butan-2-yl N-[2-(2-methoxyethoxy)ethyl]carbamate;molecular hydrogen
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3-methyl-N-[2-[2-[2-[2-(3-methylbutanoylamino)ethoxy]ethoxy]ethoxy]ethyl]butanamide
CID 166662987
(2S)-2-amino-N-[2-[2-[2-[[(2S)-2-aminopropanoyl]amino]ethoxy]ethoxy]ethyl]propanamide
CID 15459454
tert-butyl N-[2-[2-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate
CID 154659295
propan-2-yl N-[2-[di(propan-2-yl)amino]ethyl]carbamate
CID 116653876
methyl N-[2-[2-[2-(2,3-dihydroxypropoxy)ethoxy]ethoxy]ethyl]carbamate
CID 22886573
propan-2-yl N-(2-cyclopropylethyl)carbamate
CID 116656480

Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-[2-[2-[2-[2-(hydroxymethoxy)ethoxy]ethoxy]ethoxy]ethyl]carbamate?
The IUPAC name of propan-2-yl N-[2-[2-[2-[2-(hydroxymethoxy)ethoxy]ethoxy]ethoxy]ethyl]carbamate (CID 162683918) is propan-2-yl N-[2-[2-[2-[2-(hydroxymethoxy)ethoxy]ethoxy]ethoxy]ethyl]carbamate.
What is the SMILES notation for propan-2-yl N-[2-[2-[2-[2-(hydroxymethoxy)ethoxy]ethoxy]ethoxy]ethyl]carbamate?
The canonical SMILES for propan-2-yl N-[2-[2-[2-[2-(hydroxymethoxy)ethoxy]ethoxy]ethoxy]ethyl]carbamate is CC(C)OC(=O)NCCOCCOCCOCCOCO.
What is the InChIKey of propan-2-yl N-[2-[2-[2-[2-(hydroxymethoxy)ethoxy]ethoxy]ethoxy]ethyl]carbamate?
The InChIKey is SLDLKDLIVFDYAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO7/c1-12(2)21-13(16)14-3-4-17-5-6-18-7-8-19-9-10-20-11-15/h12,15H,3-11H2,1-2H3,(H,14,16).
What are the key properties of propan-2-yl N-[2-[2-[2-[2-(hydroxymethoxy)ethoxy]ethoxy]ethoxy]ethyl]carbamate?
propan-2-yl N-[2-[2-[2-[2-(hydroxymethoxy)ethoxy]ethoxy]ethoxy]ethyl]carbamate has a molecular weight of 309.36 g/mol, XLogP of 0.14, 14 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-[2-[2-[2-[2-(hydroxymethoxy)ethoxy]ethoxy]ethoxy]ethyl]carbamate is sourced from PubChem (CID 162683918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).