2-hydroxyethyl N,N-bis(2-hydroxyethyl)carbamate

C7H15NO5 — CID 12596390

IUPAC2-hydroxyethyl N,N-bis(2-hydroxyethyl)carbamate
SMILESO=C(OCCO)N(CCO)CCO
InChIInChI=1S/C7H15NO5/c9-3-1-8(2-4-10)7(12)13-6-5-11/h9-11H,1-6H2
InChIKeyPQHLSPBTBGLVGJ-UHFFFAOYSA-N
MW193.20 g/mol
LogP-1.60
Rot. Bonds6

About 2-hydroxyethyl N,N-bis(2-hydroxyethyl)carbamate

2-hydroxyethyl N,N-bis(2-hydroxyethyl)carbamate (PubChem CID 12596390) has the molecular formula C7H15NO5 and a molecular weight of 193.20 g/mol. Its IUPAC name is 2-hydroxyethyl N,N-bis(2-hydroxyethyl)carbamate.

Molecular Properties

Compound Name2-hydroxyethyl N,N-bis(2-hydroxyethyl)carbamate
PubChem CID12596390
Molecular FormulaC7H15NO5
Molecular Weight193.20 g/mol
Exact Mass193.10
IUPAC Name2-hydroxyethyl N,N-bis(2-hydroxyethyl)carbamate
SMILESO=C(OCCO)N(CCO)CCO
InChIInChI=1S/C7H15NO5/c9-3-1-8(2-4-10)7(12)13-6-5-11/h9-11H,1-6H2
InChIKeyPQHLSPBTBGLVGJ-UHFFFAOYSA-N
XLogP-1.60
TPSA90.23 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.20
LogP ≤ 5-1.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl N-(2-hydroxyethyl)-N-methylcarbamate
CID 19370355
2-hydroxyethyl N-ethyl-N-methylcarbamate
CID 19833956
Bis(2-hydroxyethyl) carbamic acid
CID 15795359
2-hydroxyethyl N,N-diethylcarbamate
CID 15560804
2-hydroxyethyl N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)carbamate
CID 79346547
2-hydroxyethyl N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)carbamate
CID 107494877
2-Hydroxyethyl morpholine-4-carboxylate
CID 235368
methyl N-ethyl-N-(2-hydroxyethyl)carbamate
CID 12587960
methyl N,N-bis(2-hydroxyethyl)carbamate
CID 17922454
1-Hydroxyethyl(2-methoxyethyl)carbamic acid
CID 19018221
N,N-bis(2-hydroxyethyl)carbamate
CID 19101499
Ethyl bis(2-hydroxyethyl)carbamate
CID 19744912

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl N,N-bis(2-hydroxyethyl)carbamate?
The IUPAC name of 2-hydroxyethyl N,N-bis(2-hydroxyethyl)carbamate (CID 12596390) is 2-hydroxyethyl N,N-bis(2-hydroxyethyl)carbamate.
What is the SMILES notation for 2-hydroxyethyl N,N-bis(2-hydroxyethyl)carbamate?
The canonical SMILES for 2-hydroxyethyl N,N-bis(2-hydroxyethyl)carbamate is O=C(OCCO)N(CCO)CCO.
What is the InChIKey of 2-hydroxyethyl N,N-bis(2-hydroxyethyl)carbamate?
The InChIKey is PQHLSPBTBGLVGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO5/c9-3-1-8(2-4-10)7(12)13-6-5-11/h9-11H,1-6H2.
What are the key properties of 2-hydroxyethyl N,N-bis(2-hydroxyethyl)carbamate?
2-hydroxyethyl N,N-bis(2-hydroxyethyl)carbamate has a molecular weight of 193.20 g/mol, XLogP of -1.60, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl N,N-bis(2-hydroxyethyl)carbamate is sourced from PubChem (CID 12596390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).