tert-butyl N-[2-(4-ethoxy-3-methoxyanilino)propyl]carbamate

C17H28N2O4 — CID 103388467

IUPACtert-butyl N-[2-(4-ethoxy-3-methoxyanilino)propyl]carbamate
SMILESCCOc1ccc(NC(C)CNC(=O)OC(C)(C)C)cc1OC
InChIInChI=1S/C17H28N2O4/c1-7-22-14-9-8-13(10-15(14)21-6)19-12(2)11-18-16(20)23-17(3,4)5/h8-10,12,19H,7,11H2,1-6H3,(H,18,20)
InChIKeyDLNRUTUBRTZOAA-UHFFFAOYSA-N
MW324.42 g/mol
LogP3.42
Rot. Bonds7

About tert-butyl N-[2-(4-ethoxy-3-methoxyanilino)propyl]carbamate

tert-butyl N-[2-(4-ethoxy-3-methoxyanilino)propyl]carbamate (PubChem CID 103388467) has the molecular formula C17H28N2O4 and a molecular weight of 324.42 g/mol. Its IUPAC name is tert-butyl N-[2-(4-ethoxy-3-methoxyanilino)propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(4-ethoxy-3-methoxyanilino)propyl]carbamate
PubChem CID103388467
Molecular FormulaC17H28N2O4
Molecular Weight324.42 g/mol
Exact Mass324.20
IUPAC Nametert-butyl N-[2-(4-ethoxy-3-methoxyanilino)propyl]carbamate
SMILESCCOc1ccc(NC(C)CNC(=O)OC(C)(C)C)cc1OC
InChIInChI=1S/C17H28N2O4/c1-7-22-14-9-8-13(10-15(14)21-6)19-12(2)11-18-16(20)23-17(3,4)5/h8-10,12,19H,7,11H2,1-6H3,(H,18,20)
InChIKeyDLNRUTUBRTZOAA-UHFFFAOYSA-N
XLogP3.42
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[2-(4-ethoxy-3-methoxyanilino)ethyl]carbamate
CID 103717280
tert-butyl N-[2-(2-ethoxy-4-fluoroanilino)propyl]carbamate
CID 103388683
4-ethoxy-3-methoxy-N-(1-methoxypropan-2-yl)aniline
CID 62536992
tert-butyl N-[2-(3-bromo-4-methylanilino)propyl]carbamate
CID 103389943
tert-butyl N-[2-(3,5-dimethylanilino)propyl]carbamate
CID 103387276
tert-butyl N-[2-[4-(ethylcarbamoyl)anilino]propyl]carbamate
CID 103388662
tert-butyl N-[2-(4-acetamido-3-methylanilino)propyl]carbamate
CID 103387940
tert-butyl N-[5-(1-aminopropan-2-ylamino)-2-methoxyphenyl]carbamate
CID 107239656
tert-butyl N-[2-[4-chloro-3-(trifluoromethyl)anilino]propyl]carbamate
CID 103387744
tert-butyl N-[2-[1-(2-methoxy-5-methylphenyl)ethylamino]propyl]carbamate
CID 103388164
3-ethoxy-4-methoxy-N-(1-methylsulfonylpropan-2-yl)aniline
CID 64629532
tert-butyl N-[2-[3-(trifluoromethyl)anilino]propyl]carbamate
CID 103387055

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(4-ethoxy-3-methoxyanilino)propyl]carbamate?
The IUPAC name of tert-butyl N-[2-(4-ethoxy-3-methoxyanilino)propyl]carbamate (CID 103388467) is tert-butyl N-[2-(4-ethoxy-3-methoxyanilino)propyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(4-ethoxy-3-methoxyanilino)propyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(4-ethoxy-3-methoxyanilino)propyl]carbamate is CCOc1ccc(NC(C)CNC(=O)OC(C)(C)C)cc1OC.
What is the InChIKey of tert-butyl N-[2-(4-ethoxy-3-methoxyanilino)propyl]carbamate?
The InChIKey is DLNRUTUBRTZOAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O4/c1-7-22-14-9-8-13(10-15(14)21-6)19-12(2)11-18-16(20)23-17(3,4)5/h8-10,12,19H,7,11H2,1-6H3,(H,18,20).
What are the key properties of tert-butyl N-[2-(4-ethoxy-3-methoxyanilino)propyl]carbamate?
tert-butyl N-[2-(4-ethoxy-3-methoxyanilino)propyl]carbamate has a molecular weight of 324.42 g/mol, XLogP of 3.42, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(4-ethoxy-3-methoxyanilino)propyl]carbamate is sourced from PubChem (CID 103388467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).