tert-butyl N-[4-[bis(2-hydroxyethyl)amino]phenyl]carbamate

C15H24N2O4 — CID 18409974

IUPACtert-butyl N-[4-[bis(2-hydroxyethyl)amino]phenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(N(CCO)CCO)cc1
InChIInChI=1S/C15H24N2O4/c1-15(2,3)21-14(20)16-12-4-6-13(7-5-12)17(8-10-18)9-11-19/h4-7,18-19H,8-11H2,1-3H3,(H,16,20)
InChIKeyBZXFSSIIYRKOBZ-UHFFFAOYSA-N
MW296.37 g/mol
LogP1.82
Rot. Bonds6

About tert-butyl N-[4-[bis(2-hydroxyethyl)amino]phenyl]carbamate

tert-butyl N-[4-[bis(2-hydroxyethyl)amino]phenyl]carbamate (PubChem CID 18409974) has the molecular formula C15H24N2O4 and a molecular weight of 296.37 g/mol. Its IUPAC name is tert-butyl N-[4-[bis(2-hydroxyethyl)amino]phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-[bis(2-hydroxyethyl)amino]phenyl]carbamate
PubChem CID18409974
Molecular FormulaC15H24N2O4
Molecular Weight296.37 g/mol
Exact Mass296.17
IUPAC Nametert-butyl N-[4-[bis(2-hydroxyethyl)amino]phenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(N(CCO)CCO)cc1
InChIInChI=1S/C15H24N2O4/c1-15(2,3)21-14(20)16-12-4-6-13(7-5-12)17(8-10-18)9-11-19/h4-7,18-19H,8-11H2,1-3H3,(H,16,20)
InChIKeyBZXFSSIIYRKOBZ-UHFFFAOYSA-N
XLogP1.82
TPSA82.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 51.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-[bis(2-hydroxyethyl)amino]phenyl]carbamate?
The IUPAC name of tert-butyl N-[4-[bis(2-hydroxyethyl)amino]phenyl]carbamate (CID 18409974) is tert-butyl N-[4-[bis(2-hydroxyethyl)amino]phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-[bis(2-hydroxyethyl)amino]phenyl]carbamate?
The canonical SMILES for tert-butyl N-[4-[bis(2-hydroxyethyl)amino]phenyl]carbamate is CC(C)(C)OC(=O)Nc1ccc(N(CCO)CCO)cc1.
What is the InChIKey of tert-butyl N-[4-[bis(2-hydroxyethyl)amino]phenyl]carbamate?
The InChIKey is BZXFSSIIYRKOBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O4/c1-15(2,3)21-14(20)16-12-4-6-13(7-5-12)17(8-10-18)9-11-19/h4-7,18-19H,8-11H2,1-3H3,(H,16,20).
What are the key properties of tert-butyl N-[4-[bis(2-hydroxyethyl)amino]phenyl]carbamate?
tert-butyl N-[4-[bis(2-hydroxyethyl)amino]phenyl]carbamate has a molecular weight of 296.37 g/mol, XLogP of 1.82, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-[bis(2-hydroxyethyl)amino]phenyl]carbamate is sourced from PubChem (CID 18409974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).