tert-butyl N-[4-[[2-(4-hydroxyphenyl)-2-oxoethyl]amino]-2-propylphenyl]carbamate

C22H28N2O4 — CID 166741342

IUPACtert-butyl N-[4-[[2-(4-hydroxyphenyl)-2-oxoethyl]amino]-2-propylphenyl]carbamate
SMILESCCCc1cc(NCC(=O)c2ccc(O)cc2)ccc1NC(=O)OC(C)(C)C
InChIInChI=1S/C22H28N2O4/c1-5-6-16-13-17(9-12-19(16)24-21(27)28-22(2,3)4)23-14-20(26)15-7-10-18(25)11-8-15/h7-13,23,25H,5-6,14H2,1-4H3,(H,24,27)
InChIKeyRVBZZKMSGGHFFZ-UHFFFAOYSA-N
MW384.48 g/mol
LogP4.99
Rot. Bonds7

About tert-butyl N-[4-[[2-(4-hydroxyphenyl)-2-oxoethyl]amino]-2-propylphenyl]carbamate

tert-butyl N-[4-[[2-(4-hydroxyphenyl)-2-oxoethyl]amino]-2-propylphenyl]carbamate (PubChem CID 166741342) has the molecular formula C22H28N2O4 and a molecular weight of 384.48 g/mol. Its IUPAC name is tert-butyl N-[4-[[2-(4-hydroxyphenyl)-2-oxoethyl]amino]-2-propylphenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-[[2-(4-hydroxyphenyl)-2-oxoethyl]amino]-2-propylphenyl]carbamate
PubChem CID166741342
Molecular FormulaC22H28N2O4
Molecular Weight384.48 g/mol
Exact Mass384.20
IUPAC Nametert-butyl N-[4-[[2-(4-hydroxyphenyl)-2-oxoethyl]amino]-2-propylphenyl]carbamate
SMILESCCCc1cc(NCC(=O)c2ccc(O)cc2)ccc1NC(=O)OC(C)(C)C
InChIInChI=1S/C22H28N2O4/c1-5-6-16-13-17(9-12-19(16)24-21(27)28-22(2,3)4)23-14-20(26)15-7-10-18(25)11-8-15/h7-13,23,25H,5-6,14H2,1-4H3,(H,24,27)
InChIKeyRVBZZKMSGGHFFZ-UHFFFAOYSA-N
XLogP4.99
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 54.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

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tert-butyl N-[2-fluoro-5-(propylamino)phenyl]carbamate
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tert-butyl N-(2-chloro-4-hydroxyphenyl)carbamate
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tert-butyl N-[2-(bromomethyl)-5-hydroxyphenyl]carbamate
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tert-butyl N-[2-(hydroxymethyl)-4-methylphenyl]carbamate
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4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-4-oxobutanoic acid
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tert-butyl N-[2-[2-oxo-2-(4-pyridin-4-ylphenyl)ethyl]phenyl]carbamate
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CID 117236568

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-[[2-(4-hydroxyphenyl)-2-oxoethyl]amino]-2-propylphenyl]carbamate?
The IUPAC name of tert-butyl N-[4-[[2-(4-hydroxyphenyl)-2-oxoethyl]amino]-2-propylphenyl]carbamate (CID 166741342) is tert-butyl N-[4-[[2-(4-hydroxyphenyl)-2-oxoethyl]amino]-2-propylphenyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-[[2-(4-hydroxyphenyl)-2-oxoethyl]amino]-2-propylphenyl]carbamate?
The canonical SMILES for tert-butyl N-[4-[[2-(4-hydroxyphenyl)-2-oxoethyl]amino]-2-propylphenyl]carbamate is CCCc1cc(NCC(=O)c2ccc(O)cc2)ccc1NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[4-[[2-(4-hydroxyphenyl)-2-oxoethyl]amino]-2-propylphenyl]carbamate?
The InChIKey is RVBZZKMSGGHFFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O4/c1-5-6-16-13-17(9-12-19(16)24-21(27)28-22(2,3)4)23-14-20(26)15-7-10-18(25)11-8-15/h7-13,23,25H,5-6,14H2,1-4H3,(H,24,27).
What are the key properties of tert-butyl N-[4-[[2-(4-hydroxyphenyl)-2-oxoethyl]amino]-2-propylphenyl]carbamate?
tert-butyl N-[4-[[2-(4-hydroxyphenyl)-2-oxoethyl]amino]-2-propylphenyl]carbamate has a molecular weight of 384.48 g/mol, XLogP of 4.99, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-[[2-(4-hydroxyphenyl)-2-oxoethyl]amino]-2-propylphenyl]carbamate is sourced from PubChem (CID 166741342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).