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

C7H15NO4 — CID 19744912

IUPACethyl N,N-bis(2-hydroxyethyl)carbamate
SMILESCCOC(=O)N(CCO)CCO
InChIInChI=1S/C7H15NO4/c1-2-12-7(11)8(3-5-9)4-6-10/h9-10H,2-6H2,1H3
InChIKeyBVJUBQSGHDXNTF-UHFFFAOYSA-N
MW177.20 g/mol
LogP-0.57
Rot. Bonds5

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

ethyl N,N-bis(2-hydroxyethyl)carbamate (PubChem CID 19744912) has the molecular formula C7H15NO4 and a molecular weight of 177.20 g/mol. Its IUPAC name is ethyl N,N-bis(2-hydroxyethyl)carbamate.

Molecular Properties

Compound Nameethyl N,N-bis(2-hydroxyethyl)carbamate
PubChem CID19744912
Molecular FormulaC7H15NO4
Molecular Weight177.20 g/mol
Exact Mass177.10
IUPAC Nameethyl N,N-bis(2-hydroxyethyl)carbamate
SMILESCCOC(=O)N(CCO)CCO
InChIInChI=1S/C7H15NO4/c1-2-12-7(11)8(3-5-9)4-6-10/h9-10H,2-6H2,1H3
InChIKeyBVJUBQSGHDXNTF-UHFFFAOYSA-N
XLogP-0.57
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.20
LogP ≤ 5-0.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl N,N-bis(2-hydroxyethyl)carbamate?
The IUPAC name of ethyl N,N-bis(2-hydroxyethyl)carbamate (CID 19744912) is ethyl N,N-bis(2-hydroxyethyl)carbamate.
What is the SMILES notation for ethyl N,N-bis(2-hydroxyethyl)carbamate?
The canonical SMILES for ethyl N,N-bis(2-hydroxyethyl)carbamate is CCOC(=O)N(CCO)CCO.
What is the InChIKey of ethyl N,N-bis(2-hydroxyethyl)carbamate?
The InChIKey is BVJUBQSGHDXNTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO4/c1-2-12-7(11)8(3-5-9)4-6-10/h9-10H,2-6H2,1H3.
What are the key properties of ethyl N,N-bis(2-hydroxyethyl)carbamate?
ethyl N,N-bis(2-hydroxyethyl)carbamate has a molecular weight of 177.20 g/mol, XLogP of -0.57, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N,N-bis(2-hydroxyethyl)carbamate is sourced from PubChem (CID 19744912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).