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

C12H17NO4 — CID 23498447

IUPACbenzyl N,N-bis(2-hydroxyethyl)carbamate
SMILESO=C(OCc1ccccc1)N(CCO)CCO
InChIInChI=1S/C12H17NO4/c14-8-6-13(7-9-15)12(16)17-10-11-4-2-1-3-5-11/h1-5,14-15H,6-10H2
InChIKeyQCMILQCFDHNPGB-UHFFFAOYSA-N
MW239.27 g/mol
LogP0.61
Rot. Bonds6

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

benzyl N,N-bis(2-hydroxyethyl)carbamate (PubChem CID 23498447) has the molecular formula C12H17NO4 and a molecular weight of 239.27 g/mol. Its IUPAC name is benzyl N,N-bis(2-hydroxyethyl)carbamate.

Molecular Properties

Compound Namebenzyl N,N-bis(2-hydroxyethyl)carbamate
PubChem CID23498447
Molecular FormulaC12H17NO4
Molecular Weight239.27 g/mol
Exact Mass239.12
IUPAC Namebenzyl N,N-bis(2-hydroxyethyl)carbamate
SMILESO=C(OCc1ccccc1)N(CCO)CCO
InChIInChI=1S/C12H17NO4/c14-8-6-13(7-9-15)12(16)17-10-11-4-2-1-3-5-11/h1-5,14-15H,6-10H2
InChIKeyQCMILQCFDHNPGB-UHFFFAOYSA-N
XLogP0.61
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[benzyl(phenylmethoxycarbonyl)amino]ethyl-(2-hydroxyethyl)carbamic acid
CID 18423744
benzyl N-(2-hydroxyethyl)-N-[3-(2-nitrophenyl)-3-oxopropyl]carbamate
CID 70215142
benzyl N-(2-phenylethyl)-N-propylcarbamate
CID 141214561
benzyl N-ethyl-N-propylcarbamate
CID 126656974
benzyl N,N-bis[2-(trifluoromethoxy)ethyl]carbamate
CID 121233905
benzyl N,N-dimethylcarbamate
CID 12963450
benzyl N-benzyl-N-ethylcarbamate
CID 70968693
benzyl N-(2-hydroxyethyl)-N-piperidin-4-ylcarbamate
CID 171068971
benzyl N-ethyl-N-(2-methylpropyl)carbamate
CID 130580876
benzyl N,N-bis[2-(4-aminophenoxy)ethyl]carbamate
CID 135223658
benzyl N-amino-N-phenylcarbamate
CID 54267520
benzyl N-benzyl-N-[benzyl(phenylmethoxycarbonyl)amino]oxycarbamate
CID 57277230

Frequently Asked Questions

What is the IUPAC name of benzyl N,N-bis(2-hydroxyethyl)carbamate?
The IUPAC name of benzyl N,N-bis(2-hydroxyethyl)carbamate (CID 23498447) is benzyl N,N-bis(2-hydroxyethyl)carbamate.
What is the SMILES notation for benzyl N,N-bis(2-hydroxyethyl)carbamate?
The canonical SMILES for benzyl N,N-bis(2-hydroxyethyl)carbamate is O=C(OCc1ccccc1)N(CCO)CCO.
What is the InChIKey of benzyl N,N-bis(2-hydroxyethyl)carbamate?
The InChIKey is QCMILQCFDHNPGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO4/c14-8-6-13(7-9-15)12(16)17-10-11-4-2-1-3-5-11/h1-5,14-15H,6-10H2.
What are the key properties of benzyl N,N-bis(2-hydroxyethyl)carbamate?
benzyl N,N-bis(2-hydroxyethyl)carbamate has a molecular weight of 239.27 g/mol, XLogP of 0.61, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N,N-bis(2-hydroxyethyl)carbamate is sourced from PubChem (CID 23498447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).