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

C15H24N2O3 — CID 65143042

IUPACtert-butyl N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]carbamate
SMILESCCN(CCO)c1ccc(NC(=O)OC(C)(C)C)cc1
InChIInChI=1S/C15H24N2O3/c1-5-17(10-11-18)13-8-6-12(7-9-13)16-14(19)20-15(2,3)4/h6-9,18H,5,10-11H2,1-4H3,(H,16,19)
InChIKeyAPZXLCIAALLKOJ-UHFFFAOYSA-N
MW280.37 g/mol
LogP2.85
Rot. Bonds5

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

tert-butyl N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]carbamate (PubChem CID 65143042) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is tert-butyl N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]carbamate
PubChem CID65143042
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Nametert-butyl N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]carbamate
SMILESCCN(CCO)c1ccc(NC(=O)OC(C)(C)C)cc1
InChIInChI=1S/C15H24N2O3/c1-5-17(10-11-18)13-8-6-12(7-9-13)16-14(19)20-15(2,3)4/h6-9,18H,5,10-11H2,1-4H3,(H,16,19)
InChIKeyAPZXLCIAALLKOJ-UHFFFAOYSA-N
XLogP2.85
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]-2,2-dimethylpropanamide
CID 115426342
N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]-4-hydroxybutanamide
CID 79204146
2-amino-2-cyclopropyl-N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]propanamide
CID 60945791
tert-butyl N-[5-[4-(diethylamino)anilino]-2-pyridinyl]carbamate
CID 113035609
tert-butyl N-[4-[carbonochloridoyl(methyl)amino]phenyl]carbamate
CID 14349632
tert-butyl N-[4-(prop-2-enylamino)phenyl]carbamate
CID 112980140
3-(ethylamino)-N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]propanamide
CID 62834910
N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]-1H-pyrazole-4-carboxamide
CID 60933546
tert-butyl N-(4-sulfanylphenyl)carbamate
CID 59412418
tert-butyl N-(4-butanoylphenyl)carbamate
CID 69331401
tert-butyl 2-[4-[bis(2-hydroxyethyl)amino]phenyl]acetate
CID 10756299
tert-butyl N-[4-[2-[[4-(dimethylamino)phenyl]methyl-ethylamino]-2-oxoethyl]phenyl]carbamate
CID 78847600

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]carbamate?
The IUPAC name of tert-butyl N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]carbamate (CID 65143042) is tert-butyl N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]carbamate?
The canonical SMILES for tert-butyl N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]carbamate is CCN(CCO)c1ccc(NC(=O)OC(C)(C)C)cc1.
What is the InChIKey of tert-butyl N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]carbamate?
The InChIKey is APZXLCIAALLKOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-5-17(10-11-18)13-8-6-12(7-9-13)16-14(19)20-15(2,3)4/h6-9,18H,5,10-11H2,1-4H3,(H,16,19).
What are the key properties of tert-butyl N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]carbamate?
tert-butyl N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]carbamate has a molecular weight of 280.37 g/mol, XLogP of 2.85, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]carbamate is sourced from PubChem (CID 65143042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).