2-[(2-hydroxy-3-octoxypropyl)amino]ethyl carbamate

C14H30N2O4 — CID 83209945

IUPAC2-[(2-hydroxy-3-octoxypropyl)amino]ethyl carbamate
SMILESCCCCCCCCOCC(O)CNCCOC(N)=O
InChIInChI=1S/C14H30N2O4/c1-2-3-4-5-6-7-9-19-12-13(17)11-16-8-10-20-14(15)18/h13,16-17H,2-12H2,1H3,(H2,15,18)
InChIKeyWRSGTDNEPYRFLN-UHFFFAOYSA-N
MW290.40 g/mol
LogP1.41
Rot. Bonds14

About 2-[(2-hydroxy-3-octoxypropyl)amino]ethyl carbamate

2-[(2-hydroxy-3-octoxypropyl)amino]ethyl carbamate (PubChem CID 83209945) has the molecular formula C14H30N2O4 and a molecular weight of 290.40 g/mol. Its IUPAC name is 2-[(2-hydroxy-3-octoxypropyl)amino]ethyl carbamate.

Molecular Properties

Compound Name2-[(2-hydroxy-3-octoxypropyl)amino]ethyl carbamate
PubChem CID83209945
Molecular FormulaC14H30N2O4
Molecular Weight290.40 g/mol
Exact Mass290.22
IUPAC Name2-[(2-hydroxy-3-octoxypropyl)amino]ethyl carbamate
SMILESCCCCCCCCOCC(O)CNCCOC(N)=O
InChIInChI=1S/C14H30N2O4/c1-2-3-4-5-6-7-9-19-12-13(17)11-16-8-10-20-14(15)18/h13,16-17H,2-12H2,1H3,(H2,15,18)
InChIKeyWRSGTDNEPYRFLN-UHFFFAOYSA-N
XLogP1.41
TPSA93.81 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.40
LogP ≤ 51.41
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-[(2-hydroxy-3-octoxypropyl)amino]butanamide
CID 60908998
2-[(3-ethoxy-2-hydroxypropyl)amino]ethyl carbamate
CID 83210726
(2R)-1-[2-[[(2S)-2-hydroxy-3-pentoxypropyl]amino]ethylamino]-3-pentoxypropan-2-ol
CID 92765334
1-pentoxy-3-(propylamino)propan-2-ol
CID 43275105
2-[[3-(2-ethylhexoxy)-2-hydroxypropyl]amino]ethyl carbamate
CID 83209198
3-[(3-hexoxy-2-hydroxypropyl)amino]-2,2-dimethylpropanamide
CID 106276376
3-[(3-butoxy-2-hydroxypropyl)amino]propanamide
CID 107262577
1-(3-hydroxypropylamino)-3-octoxypropan-2-ol
CID 60634002
1-(3-ethoxypropylamino)-3-octoxypropan-2-ol
CID 60634251
sodium 2-[(2-hydroxy-3-tetradecoxypropyl)amino]ethyl phosphate
CID 19694614
ethyl 2-[(3-hexoxy-2-hydroxypropyl)amino]acetate
CID 54937936
(2R)-1-(2-aminoethylamino)-3-butoxypropan-2-ol
CID 92574092

Frequently Asked Questions

What is the IUPAC name of 2-[(2-hydroxy-3-octoxypropyl)amino]ethyl carbamate?
The IUPAC name of 2-[(2-hydroxy-3-octoxypropyl)amino]ethyl carbamate (CID 83209945) is 2-[(2-hydroxy-3-octoxypropyl)amino]ethyl carbamate.
What is the SMILES notation for 2-[(2-hydroxy-3-octoxypropyl)amino]ethyl carbamate?
The canonical SMILES for 2-[(2-hydroxy-3-octoxypropyl)amino]ethyl carbamate is CCCCCCCCOCC(O)CNCCOC(N)=O.
What is the InChIKey of 2-[(2-hydroxy-3-octoxypropyl)amino]ethyl carbamate?
The InChIKey is WRSGTDNEPYRFLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O4/c1-2-3-4-5-6-7-9-19-12-13(17)11-16-8-10-20-14(15)18/h13,16-17H,2-12H2,1H3,(H2,15,18).
What are the key properties of 2-[(2-hydroxy-3-octoxypropyl)amino]ethyl carbamate?
2-[(2-hydroxy-3-octoxypropyl)amino]ethyl carbamate has a molecular weight of 290.40 g/mol, XLogP of 1.41, 14 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-hydroxy-3-octoxypropyl)amino]ethyl carbamate is sourced from PubChem (CID 83209945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).