2-[[3-(2-ethylhexoxy)-2-hydroxypropyl]amino]ethyl carbamate

C14H30N2O4 — CID 83209198

IUPAC2-[[3-(2-ethylhexoxy)-2-hydroxypropyl]amino]ethyl carbamate
SMILESCCCCC(CC)COCC(O)CNCCOC(N)=O
InChIInChI=1S/C14H30N2O4/c1-3-5-6-12(4-2)10-19-11-13(17)9-16-7-8-20-14(15)18/h12-13,16-17H,3-11H2,1-2H3,(H2,15,18)
InChIKeyQNRYUPQECAYEGS-UHFFFAOYSA-N
MW290.40 g/mol
LogP1.27
Rot. Bonds13

About 2-[[3-(2-ethylhexoxy)-2-hydroxypropyl]amino]ethyl carbamate

2-[[3-(2-ethylhexoxy)-2-hydroxypropyl]amino]ethyl carbamate (PubChem CID 83209198) has the molecular formula C14H30N2O4 and a molecular weight of 290.40 g/mol. Its IUPAC name is 2-[[3-(2-ethylhexoxy)-2-hydroxypropyl]amino]ethyl carbamate.

Molecular Properties

Compound Name2-[[3-(2-ethylhexoxy)-2-hydroxypropyl]amino]ethyl carbamate
PubChem CID83209198
Molecular FormulaC14H30N2O4
Molecular Weight290.40 g/mol
Exact Mass290.22
IUPAC Name2-[[3-(2-ethylhexoxy)-2-hydroxypropyl]amino]ethyl carbamate
SMILESCCCCC(CC)COCC(O)CNCCOC(N)=O
InChIInChI=1S/C14H30N2O4/c1-3-5-6-12(4-2)10-19-11-13(17)9-16-7-8-20-14(15)18/h12-13,16-17H,3-11H2,1-2H3,(H2,15,18)
InChIKeyQNRYUPQECAYEGS-UHFFFAOYSA-N
XLogP1.27
TPSA93.81 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.40
LogP ≤ 51.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[[3-(2-ethylhexoxy)-2-hydroxypropyl]amino]butanamide
CID 60909126
2-[(2-hydroxy-3-octoxypropyl)amino]ethyl carbamate
CID 83209945
1-(2-ethylhexoxy)-3-[2-(2-methylprop-2-enoxy)ethylamino]propan-2-ol
CID 114467652
2-[(3-ethoxy-2-hydroxypropyl)amino]ethyl carbamate
CID 83210726
methyl 2-[[3-(2-ethylhexoxy)-2-hydroxypropyl]amino]acetate
CID 60902673
2-[[3-(2-ethylhexoxy)-2-hydroxypropyl]amino]propanamide
CID 54938909
1-[2-(diethylamino)ethylamino]-3-(2-ethylhexoxy)propan-2-ol
CID 60633202
1-(2-ethylhexoxy)-3-(2-methoxypropylamino)propan-2-ol
CID 102698045
1-(2-ethylhexoxy)-3-(hex-5-ynylamino)propan-2-ol
CID 106211866
3-[3-[6-[[3-(2-ethylhexoxy)-2-hydroxypropyl]amino]hexylamino]-2-hydroxypropoxy]propyl-trihydroxysilanuide
CID 163788234
1-(2-ethylhexoxy)-3-[2-(3-hydroxypropylsulfanyl)ethylamino]propan-2-ol
CID 106310378
CID 88753128
CID 88753128

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(2-ethylhexoxy)-2-hydroxypropyl]amino]ethyl carbamate?
The IUPAC name of 2-[[3-(2-ethylhexoxy)-2-hydroxypropyl]amino]ethyl carbamate (CID 83209198) is 2-[[3-(2-ethylhexoxy)-2-hydroxypropyl]amino]ethyl carbamate.
What is the SMILES notation for 2-[[3-(2-ethylhexoxy)-2-hydroxypropyl]amino]ethyl carbamate?
The canonical SMILES for 2-[[3-(2-ethylhexoxy)-2-hydroxypropyl]amino]ethyl carbamate is CCCCC(CC)COCC(O)CNCCOC(N)=O.
What is the InChIKey of 2-[[3-(2-ethylhexoxy)-2-hydroxypropyl]amino]ethyl carbamate?
The InChIKey is QNRYUPQECAYEGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O4/c1-3-5-6-12(4-2)10-19-11-13(17)9-16-7-8-20-14(15)18/h12-13,16-17H,3-11H2,1-2H3,(H2,15,18).
What are the key properties of 2-[[3-(2-ethylhexoxy)-2-hydroxypropyl]amino]ethyl carbamate?
2-[[3-(2-ethylhexoxy)-2-hydroxypropyl]amino]ethyl carbamate has a molecular weight of 290.40 g/mol, XLogP of 1.27, 13 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(2-ethylhexoxy)-2-hydroxypropyl]amino]ethyl carbamate is sourced from PubChem (CID 83209198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).