tert-butyl N-[1-(2-ethoxyphenyl)ethylamino]carbamate

C15H24N2O3 — CID 107236715

IUPACtert-butyl N-[1-(2-ethoxyphenyl)ethylamino]carbamate
SMILESCCOc1ccccc1C(C)NNC(=O)OC(C)(C)C
InChIInChI=1S/C15H24N2O3/c1-6-19-13-10-8-7-9-12(13)11(2)16-17-14(18)20-15(3,4)5/h7-11,16H,6H2,1-5H3,(H,17,18)
InChIKeyRJLPEUCINQYNMS-UHFFFAOYSA-N
MW280.37 g/mol
LogP3.18
Rot. Bonds5

About tert-butyl N-[1-(2-ethoxyphenyl)ethylamino]carbamate

tert-butyl N-[1-(2-ethoxyphenyl)ethylamino]carbamate (PubChem CID 107236715) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is tert-butyl N-[1-(2-ethoxyphenyl)ethylamino]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(2-ethoxyphenyl)ethylamino]carbamate
PubChem CID107236715
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Nametert-butyl N-[1-(2-ethoxyphenyl)ethylamino]carbamate
SMILESCCOc1ccccc1C(C)NNC(=O)OC(C)(C)C
InChIInChI=1S/C15H24N2O3/c1-6-19-13-10-8-7-9-12(13)11(2)16-17-14(18)20-15(3,4)5/h7-11,16H,6H2,1-5H3,(H,17,18)
InChIKeyRJLPEUCINQYNMS-UHFFFAOYSA-N
XLogP3.18
TPSA59.59 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 ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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tert-butyl N-[(1S)-1-[2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethyl]carbamate
CID 136584914
tert-butyl N-(1-phenylbutylamino)carbamate
CID 107236962
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tert-butyl N-[1-(2-hydroxy-4-methylphenyl)ethylamino]carbamate
CID 107236760
tert-butyl N-[1-(4-propylphenyl)ethylamino]carbamate
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tert-butyl N-[1-(2,4-dichlorophenyl)ethylamino]carbamate
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N-[1-(2-ethoxyphenyl)ethyl]-2,4,4-trimethylpentan-2-amine
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ethyl 2-[1-(2-ethoxyphenyl)ethylamino]acetate
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N-[1-(2-ethoxyphenyl)ethyl]-2,2-dimethylbutan-1-amine
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tert-butyl N-(1-pyridin-4-ylethylamino)carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(2-ethoxyphenyl)ethylamino]carbamate?
The IUPAC name of tert-butyl N-[1-(2-ethoxyphenyl)ethylamino]carbamate (CID 107236715) is tert-butyl N-[1-(2-ethoxyphenyl)ethylamino]carbamate.
What is the SMILES notation for tert-butyl N-[1-(2-ethoxyphenyl)ethylamino]carbamate?
The canonical SMILES for tert-butyl N-[1-(2-ethoxyphenyl)ethylamino]carbamate is CCOc1ccccc1C(C)NNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[1-(2-ethoxyphenyl)ethylamino]carbamate?
The InChIKey is RJLPEUCINQYNMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-6-19-13-10-8-7-9-12(13)11(2)16-17-14(18)20-15(3,4)5/h7-11,16H,6H2,1-5H3,(H,17,18).
What are the key properties of tert-butyl N-[1-(2-ethoxyphenyl)ethylamino]carbamate?
tert-butyl N-[1-(2-ethoxyphenyl)ethylamino]carbamate has a molecular weight of 280.37 g/mol, XLogP of 3.18, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(2-ethoxyphenyl)ethylamino]carbamate is sourced from PubChem (CID 107236715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).