benzyl N-[2-[bis(2-hydroxyethyl)amino]ethyl]carbamate

C14H22N2O4 — CID 23510764

IUPACbenzyl N-[2-[bis(2-hydroxyethyl)amino]ethyl]carbamate
SMILESO=C(NCCN(CCO)CCO)OCc1ccccc1
InChIInChI=1S/C14H22N2O4/c17-10-8-16(9-11-18)7-6-15-14(19)20-12-13-4-2-1-3-5-13/h1-5,17-18H,6-12H2,(H,15,19)
InChIKeyVESVGAHGRYSIQC-UHFFFAOYSA-N
MW282.34 g/mol
LogP0.20
Rot. Bonds9

About benzyl N-[2-[bis(2-hydroxyethyl)amino]ethyl]carbamate

benzyl N-[2-[bis(2-hydroxyethyl)amino]ethyl]carbamate (PubChem CID 23510764) has the molecular formula C14H22N2O4 and a molecular weight of 282.34 g/mol. Its IUPAC name is benzyl N-[2-[bis(2-hydroxyethyl)amino]ethyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[2-[bis(2-hydroxyethyl)amino]ethyl]carbamate
PubChem CID23510764
Molecular FormulaC14H22N2O4
Molecular Weight282.34 g/mol
Exact Mass282.16
IUPAC Namebenzyl N-[2-[bis(2-hydroxyethyl)amino]ethyl]carbamate
SMILESO=C(NCCN(CCO)CCO)OCc1ccccc1
InChIInChI=1S/C14H22N2O4/c17-10-8-16(9-11-18)7-6-15-14(19)20-12-13-4-2-1-3-5-13/h1-5,17-18H,6-12H2,(H,15,19)
InChIKeyVESVGAHGRYSIQC-UHFFFAOYSA-N
XLogP0.20
TPSA82.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 50.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

cyclodecapentaenylmethyl N-[2-[bis(2-aminoethyl)amino]ethyl]carbamate
CID 163963342
benzyl N-[3-[bis[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]propyl]carbamate
CID 171775368
benzyl N-[3-(diethylamino)propyl]carbamate
CID 127503567
benzyl N-[18-(phenylmethoxycarbonylamino)octadecyl]carbamate
CID 67828631
benzyl N-[7-(phenylmethoxycarbonylamino)heptyl]carbamate
CID 562919
2-aminoethyl-[2-(phenylmethoxycarbonylamino)ethyl]carbamic acid
CID 151534176
benzyl N-[2-[2-hydroxyethyl-[6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(phenylmethoxycarbonylamino)hexyl]amino]ethyl]carbamate
CID 122450517
benzyl N-(phenylmethoxycarbonylaminomethyl)carbamate
CID 13001569
benzyl N-[2-(2-hydroxyethylamino)oxyethyl]carbamate
CID 89049973
benzyl N-[2-(methylamino)ethyl]carbamate
CID 10822258
benzyl N-(8-bromooctyl)carbamate
CID 86200547
benzyl N-[2-[2,4,6-trioxo-3,5-bis[2-(phenylmethoxycarbonylamino)ethyl]-1,3,5-triazinan-1-yl]ethyl]carbamate
CID 118585539

Frequently Asked Questions

What is the IUPAC name of benzyl N-[2-[bis(2-hydroxyethyl)amino]ethyl]carbamate?
The IUPAC name of benzyl N-[2-[bis(2-hydroxyethyl)amino]ethyl]carbamate (CID 23510764) is benzyl N-[2-[bis(2-hydroxyethyl)amino]ethyl]carbamate.
What is the SMILES notation for benzyl N-[2-[bis(2-hydroxyethyl)amino]ethyl]carbamate?
The canonical SMILES for benzyl N-[2-[bis(2-hydroxyethyl)amino]ethyl]carbamate is O=C(NCCN(CCO)CCO)OCc1ccccc1.
What is the InChIKey of benzyl N-[2-[bis(2-hydroxyethyl)amino]ethyl]carbamate?
The InChIKey is VESVGAHGRYSIQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4/c17-10-8-16(9-11-18)7-6-15-14(19)20-12-13-4-2-1-3-5-13/h1-5,17-18H,6-12H2,(H,15,19).
What are the key properties of benzyl N-[2-[bis(2-hydroxyethyl)amino]ethyl]carbamate?
benzyl N-[2-[bis(2-hydroxyethyl)amino]ethyl]carbamate has a molecular weight of 282.34 g/mol, XLogP of 0.20, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[2-[bis(2-hydroxyethyl)amino]ethyl]carbamate is sourced from PubChem (CID 23510764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).