2-[2-[2-[methyl-(2-methyl-1-oxopropan-2-yl)amino]ethoxy]ethoxy]ethylcarbamic acid

C12H24N2O5 — CID 155391905

IUPAC2-[2-[2-[methyl-(2-methyl-1-oxopropan-2-yl)amino]ethoxy]ethoxy]ethylcarbamic acid
SMILESCN(CCOCCOCCNC(=O)O)C(C)(C)C=O
InChIInChI=1S/C12H24N2O5/c1-12(2,10-15)14(3)5-7-19-9-8-18-6-4-13-11(16)17/h10,13H,4-9H2,1-3H3,(H,16,17)
InChIKeyMORFAPPWUCAJMA-UHFFFAOYSA-N
MW276.33 g/mol
LogP0.20
Rot. Bonds11

About 2-[2-[2-[methyl-(2-methyl-1-oxopropan-2-yl)amino]ethoxy]ethoxy]ethylcarbamic acid

2-[2-[2-[methyl-(2-methyl-1-oxopropan-2-yl)amino]ethoxy]ethoxy]ethylcarbamic acid (PubChem CID 155391905) has the molecular formula C12H24N2O5 and a molecular weight of 276.33 g/mol. Its IUPAC name is 2-[2-[2-[methyl-(2-methyl-1-oxopropan-2-yl)amino]ethoxy]ethoxy]ethylcarbamic acid.

Molecular Properties

Compound Name2-[2-[2-[methyl-(2-methyl-1-oxopropan-2-yl)amino]ethoxy]ethoxy]ethylcarbamic acid
PubChem CID155391905
Molecular FormulaC12H24N2O5
Molecular Weight276.33 g/mol
Exact Mass276.17
IUPAC Name2-[2-[2-[methyl-(2-methyl-1-oxopropan-2-yl)amino]ethoxy]ethoxy]ethylcarbamic acid
SMILESCN(CCOCCOCCNC(=O)O)C(C)(C)C=O
InChIInChI=1S/C12H24N2O5/c1-12(2,10-15)14(3)5-7-19-9-8-18-6-4-13-11(16)17/h10,13H,4-9H2,1-3H3,(H,16,17)
InChIKeyMORFAPPWUCAJMA-UHFFFAOYSA-N
XLogP0.20
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.33
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[2-(dimethylamino)ethoxy]ethoxy]ethylcarbamic acid
CID 126503687
2-[2-[hydroxy(methyl)amino]ethoxy]ethylcarbamic acid
CID 174189370
2-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethylcarbamic acid
CID 123981606
2-[carboxymethyl-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethyl]amino]acetic acid
CID 152544554
2-[2-[2-[2-[2-(carboxyamino)ethoxy]ethoxy]ethoxy]ethoxy]acetic acid
CID 86346270
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylcarbamic acid
CID 88921275
3-[2-[2-(carboxyamino)ethoxy]ethoxy]propanoic acid
CID 176555841
N-[2-[2-(2-acetamidoethoxy)ethoxy]ethyl]acetamide
CID 18674787
2-(2-hexoxyethoxy)ethylcarbamic acid
CID 90014207
2-[2-[2-[3-[2-[hexadecanoyl(methyl)amino]ethyl-methylamino]-3-oxopropoxy]ethoxy]ethoxy]ethylcarbamic acid
CID 174207545
tert-butyl N-[2-[2-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate
CID 154659295
2-[2-[2-[methyl-(2-nitrophenyl)sulfonylamino]ethoxy]ethoxy]ethylcarbamic acid
CID 90041316

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[methyl-(2-methyl-1-oxopropan-2-yl)amino]ethoxy]ethoxy]ethylcarbamic acid?
The IUPAC name of 2-[2-[2-[methyl-(2-methyl-1-oxopropan-2-yl)amino]ethoxy]ethoxy]ethylcarbamic acid (CID 155391905) is 2-[2-[2-[methyl-(2-methyl-1-oxopropan-2-yl)amino]ethoxy]ethoxy]ethylcarbamic acid.
What is the SMILES notation for 2-[2-[2-[methyl-(2-methyl-1-oxopropan-2-yl)amino]ethoxy]ethoxy]ethylcarbamic acid?
The canonical SMILES for 2-[2-[2-[methyl-(2-methyl-1-oxopropan-2-yl)amino]ethoxy]ethoxy]ethylcarbamic acid is CN(CCOCCOCCNC(=O)O)C(C)(C)C=O.
What is the InChIKey of 2-[2-[2-[methyl-(2-methyl-1-oxopropan-2-yl)amino]ethoxy]ethoxy]ethylcarbamic acid?
The InChIKey is MORFAPPWUCAJMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O5/c1-12(2,10-15)14(3)5-7-19-9-8-18-6-4-13-11(16)17/h10,13H,4-9H2,1-3H3,(H,16,17).
What are the key properties of 2-[2-[2-[methyl-(2-methyl-1-oxopropan-2-yl)amino]ethoxy]ethoxy]ethylcarbamic acid?
2-[2-[2-[methyl-(2-methyl-1-oxopropan-2-yl)amino]ethoxy]ethoxy]ethylcarbamic acid has a molecular weight of 276.33 g/mol, XLogP of 0.20, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[methyl-(2-methyl-1-oxopropan-2-yl)amino]ethoxy]ethoxy]ethylcarbamic acid is sourced from PubChem (CID 155391905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).