tert-butyl N-[3-[[2-(4-hydroxyphenyl)acetyl]amino]propoxy]carbamate

C16H24N2O5 — CID 122624166

IUPACtert-butyl N-[3-[[2-(4-hydroxyphenyl)acetyl]amino]propoxy]carbamate
SMILESCC(C)(C)OC(=O)NOCCCNC(=O)Cc1ccc(O)cc1
InChIInChI=1S/C16H24N2O5/c1-16(2,3)23-15(21)18-22-10-4-9-17-14(20)11-12-5-7-13(19)8-6-12/h5-8,19H,4,9-11H2,1-3H3,(H,17,20)(H,18,21)
InChIKeyQYDHSIUZBWLUON-UHFFFAOYSA-N
MW324.38 g/mol
LogP1.90
Rot. Bonds7

About tert-butyl N-[3-[[2-(4-hydroxyphenyl)acetyl]amino]propoxy]carbamate

tert-butyl N-[3-[[2-(4-hydroxyphenyl)acetyl]amino]propoxy]carbamate (PubChem CID 122624166) has the molecular formula C16H24N2O5 and a molecular weight of 324.38 g/mol. Its IUPAC name is tert-butyl N-[3-[[2-(4-hydroxyphenyl)acetyl]amino]propoxy]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[[2-(4-hydroxyphenyl)acetyl]amino]propoxy]carbamate
PubChem CID122624166
Molecular FormulaC16H24N2O5
Molecular Weight324.38 g/mol
Exact Mass324.17
IUPAC Nametert-butyl N-[3-[[2-(4-hydroxyphenyl)acetyl]amino]propoxy]carbamate
SMILESCC(C)(C)OC(=O)NOCCCNC(=O)Cc1ccc(O)cc1
InChIInChI=1S/C16H24N2O5/c1-16(2,3)23-15(21)18-22-10-4-9-17-14(20)11-12-5-7-13(19)8-6-12/h5-8,19H,4,9-11H2,1-3H3,(H,17,20)(H,18,21)
InChIKeyQYDHSIUZBWLUON-UHFFFAOYSA-N
XLogP1.90
TPSA96.89 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 51.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[3-[[2-(4-aminophenyl)acetyl]amino]propyl]carbamate
CID 104932589
2-(4-hydroxyphenyl)-N-[6-[3-[[2-(4-hydroxyphenyl)acetyl]amino]propoxy]hexyl]acetamide
CID 167019595
tert-butyl N-[4-[2-[(4-hydroxyphenyl)methylamino]-2-oxoethyl]phenyl]carbamate
CID 78847906
tert-butyl N-[2-[[2-(4-fluorophenyl)acetyl]amino]ethyl]carbamate
CID 71089085
tert-butyl N-[3-[(4-hydroxybenzoyl)amino]propyl]carbamate
CID 118973665
tert-butyl N-[(2S)-2-amino-3-(4-hydroxyphenyl)propyl]carbamate
CID 154958411
2-(4-hydroxyphenyl)-N-octylacetamide
CID 13309827
N-dodecyl-2-(4-hydroxyphenyl)acetamide
CID 19597088
tert-butyl N-[3-[4-[2-(4-hydroxyphenyl)propan-2-yl]phenoxy]propyl]carbamate
CID 167437352
tert-butyl N-[3-[[2-(4-bromo-3-fluorophenyl)acetyl]amino]propyl]carbamate
CID 176515908
tert-butyl N-(5-phenylpentoxy)carbamate
CID 11536449
tert-butyl N-[4-[(2-naphthalen-2-ylacetyl)amino]butyl]carbamate
CID 19989025

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[[2-(4-hydroxyphenyl)acetyl]amino]propoxy]carbamate?
The IUPAC name of tert-butyl N-[3-[[2-(4-hydroxyphenyl)acetyl]amino]propoxy]carbamate (CID 122624166) is tert-butyl N-[3-[[2-(4-hydroxyphenyl)acetyl]amino]propoxy]carbamate.
What is the SMILES notation for tert-butyl N-[3-[[2-(4-hydroxyphenyl)acetyl]amino]propoxy]carbamate?
The canonical SMILES for tert-butyl N-[3-[[2-(4-hydroxyphenyl)acetyl]amino]propoxy]carbamate is CC(C)(C)OC(=O)NOCCCNC(=O)Cc1ccc(O)cc1.
What is the InChIKey of tert-butyl N-[3-[[2-(4-hydroxyphenyl)acetyl]amino]propoxy]carbamate?
The InChIKey is QYDHSIUZBWLUON-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O5/c1-16(2,3)23-15(21)18-22-10-4-9-17-14(20)11-12-5-7-13(19)8-6-12/h5-8,19H,4,9-11H2,1-3H3,(H,17,20)(H,18,21).
What are the key properties of tert-butyl N-[3-[[2-(4-hydroxyphenyl)acetyl]amino]propoxy]carbamate?
tert-butyl N-[3-[[2-(4-hydroxyphenyl)acetyl]amino]propoxy]carbamate has a molecular weight of 324.38 g/mol, XLogP of 1.90, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-[[2-(4-hydroxyphenyl)acetyl]amino]propoxy]carbamate is sourced from PubChem (CID 122624166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).