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

C8H18N2O4 — CID 83210726

IUPAC2-[(3-ethoxy-2-hydroxypropyl)amino]ethyl carbamate
SMILESCCOCC(O)CNCCOC(N)=O
InChIInChI=1S/C8H18N2O4/c1-2-13-6-7(11)5-10-3-4-14-8(9)12/h7,10-11H,2-6H2,1H3,(H2,9,12)
InChIKeySZRSQQZWMFIKSB-UHFFFAOYSA-N
MW206.24 g/mol
LogP-0.93
Rot. Bonds8

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

2-[(3-ethoxy-2-hydroxypropyl)amino]ethyl carbamate (PubChem CID 83210726) has the molecular formula C8H18N2O4 and a molecular weight of 206.24 g/mol. Its IUPAC name is 2-[(3-ethoxy-2-hydroxypropyl)amino]ethyl carbamate.

Molecular Properties

Compound Name2-[(3-ethoxy-2-hydroxypropyl)amino]ethyl carbamate
PubChem CID83210726
Molecular FormulaC8H18N2O4
Molecular Weight206.24 g/mol
Exact Mass206.13
IUPAC Name2-[(3-ethoxy-2-hydroxypropyl)amino]ethyl carbamate
SMILESCCOCC(O)CNCCOC(N)=O
InChIInChI=1S/C8H18N2O4/c1-2-13-6-7(11)5-10-3-4-14-8(9)12/h7,10-11H,2-6H2,1H3,(H2,9,12)
InChIKeySZRSQQZWMFIKSB-UHFFFAOYSA-N
XLogP-0.93
TPSA93.81 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 5-0.93
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

2-[(2-hydroxy-3-octoxypropyl)amino]ethyl carbamate
CID 83209945
2-[[3-(2-ethylhexoxy)-2-hydroxypropyl]amino]ethyl carbamate
CID 83209198
3-[[3-(2-ethoxyethoxy)-2-hydroxypropyl]amino]propanamide
CID 60910580
1-ethoxy-3-(propylamino)propan-2-ol
CID 15683481
3-[(3-ethoxy-2-hydroxypropyl)amino]-2-hydroxypropanamide
CID 106174560
1-ethoxy-3-[(3-ethoxy-2-hydroxypropyl)amino]propan-2-ol
CID 139812156
1-(2-aminoethylamino)-3-(2-ethoxyethoxy)propan-2-ol
CID 62141108
3-[[3-(2-ethoxyethoxy)-2-hydroxypropyl]amino]-2-hydroxypropanamide
CID 106174317
1-ethoxy-3-(4-methoxybutylamino)propan-2-ol
CID 63933667
1-ethoxy-3-(2-methylsulfonylethylamino)propan-2-ol
CID 63934625
methyl 3-[[3-(2-ethoxyethoxy)-2-hydroxypropyl]amino]propanoate
CID 54935728
4-[(3-ethoxy-2-hydroxypropyl)amino]butan-1-ol
CID 106841631

Frequently Asked Questions

What is the IUPAC name of 2-[(3-ethoxy-2-hydroxypropyl)amino]ethyl carbamate?
The IUPAC name of 2-[(3-ethoxy-2-hydroxypropyl)amino]ethyl carbamate (CID 83210726) is 2-[(3-ethoxy-2-hydroxypropyl)amino]ethyl carbamate.
What is the SMILES notation for 2-[(3-ethoxy-2-hydroxypropyl)amino]ethyl carbamate?
The canonical SMILES for 2-[(3-ethoxy-2-hydroxypropyl)amino]ethyl carbamate is CCOCC(O)CNCCOC(N)=O.
What is the InChIKey of 2-[(3-ethoxy-2-hydroxypropyl)amino]ethyl carbamate?
The InChIKey is SZRSQQZWMFIKSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O4/c1-2-13-6-7(11)5-10-3-4-14-8(9)12/h7,10-11H,2-6H2,1H3,(H2,9,12).
What are the key properties of 2-[(3-ethoxy-2-hydroxypropyl)amino]ethyl carbamate?
2-[(3-ethoxy-2-hydroxypropyl)amino]ethyl carbamate has a molecular weight of 206.24 g/mol, XLogP of -0.93, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-ethoxy-2-hydroxypropyl)amino]ethyl carbamate is sourced from PubChem (CID 83210726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).