tert-butyl N-[4-[2-(2-methoxyanilino)-2-oxoethyl]phenyl]carbamate

C20H24N2O4 — CID 46556125

IUPACtert-butyl N-[4-[2-(2-methoxyanilino)-2-oxoethyl]phenyl]carbamate
SMILESCOc1ccccc1NC(=O)Cc1ccc(NC(=O)OC(C)(C)C)cc1
InChIInChI=1S/C20H24N2O4/c1-20(2,3)26-19(24)21-15-11-9-14(10-12-15)13-18(23)22-16-7-5-6-8-17(16)25-4/h5-12H,13H2,1-4H3,(H,21,24)(H,22,23)
InChIKeyDFOFTSQHUZVURX-UHFFFAOYSA-N
MW356.42 g/mol
LogP4.22
Rot. Bonds5

About tert-butyl N-[4-[2-(2-methoxyanilino)-2-oxoethyl]phenyl]carbamate

tert-butyl N-[4-[2-(2-methoxyanilino)-2-oxoethyl]phenyl]carbamate (PubChem CID 46556125) has the molecular formula C20H24N2O4 and a molecular weight of 356.42 g/mol. Its IUPAC name is tert-butyl N-[4-[2-(2-methoxyanilino)-2-oxoethyl]phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-[2-(2-methoxyanilino)-2-oxoethyl]phenyl]carbamate
PubChem CID46556125
Molecular FormulaC20H24N2O4
Molecular Weight356.42 g/mol
Exact Mass356.17
IUPAC Nametert-butyl N-[4-[2-(2-methoxyanilino)-2-oxoethyl]phenyl]carbamate
SMILESCOc1ccccc1NC(=O)Cc1ccc(NC(=O)OC(C)(C)C)cc1
InChIInChI=1S/C20H24N2O4/c1-20(2,3)26-19(24)21-15-11-9-14(10-12-15)13-18(23)22-16-7-5-6-8-17(16)25-4/h5-12H,13H2,1-4H3,(H,21,24)(H,22,23)
InChIKeyDFOFTSQHUZVURX-UHFFFAOYSA-N
XLogP4.22
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 17410326
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tert-butyl N-[4-[2-[[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]amino]-2-oxoethyl]phenyl]carbamate
CID 42946614
tert-butyl N-[4-[2-(methoxyamino)-2-oxoethyl]phenyl]carbamate
CID 33104899
tert-butyl N-[2-(2-methoxyanilino)-2-oxoethoxy]carbamate
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[(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl] 4-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate
CID 8647080
tert-butyl N-[6-(2-methoxyanilino)-3-pyridinyl]carbamate
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[2-(2-methoxyanilino)-2-oxoethyl] 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
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tert-butyl N-[4-[2-[(3-fluoro-4-methoxyphenyl)methylamino]-2-oxoethyl]phenyl]carbamate
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tert-butyl N-[4-[2-[methoxy(methyl)amino]-2-oxoethyl]phenyl]carbamate
CID 131868653
N-(2-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)acetamide
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2-(2-hydroxyphenyl)-N-(2-methoxyphenyl)acetamide
CID 60615730

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-[2-(2-methoxyanilino)-2-oxoethyl]phenyl]carbamate?
The IUPAC name of tert-butyl N-[4-[2-(2-methoxyanilino)-2-oxoethyl]phenyl]carbamate (CID 46556125) is tert-butyl N-[4-[2-(2-methoxyanilino)-2-oxoethyl]phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-[2-(2-methoxyanilino)-2-oxoethyl]phenyl]carbamate?
The canonical SMILES for tert-butyl N-[4-[2-(2-methoxyanilino)-2-oxoethyl]phenyl]carbamate is COc1ccccc1NC(=O)Cc1ccc(NC(=O)OC(C)(C)C)cc1.
What is the InChIKey of tert-butyl N-[4-[2-(2-methoxyanilino)-2-oxoethyl]phenyl]carbamate?
The InChIKey is DFOFTSQHUZVURX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4/c1-20(2,3)26-19(24)21-15-11-9-14(10-12-15)13-18(23)22-16-7-5-6-8-17(16)25-4/h5-12H,13H2,1-4H3,(H,21,24)(H,22,23).
What are the key properties of tert-butyl N-[4-[2-(2-methoxyanilino)-2-oxoethyl]phenyl]carbamate?
tert-butyl N-[4-[2-(2-methoxyanilino)-2-oxoethyl]phenyl]carbamate has a molecular weight of 356.42 g/mol, XLogP of 4.22, 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-[2-(2-methoxyanilino)-2-oxoethyl]phenyl]carbamate is sourced from PubChem (CID 46556125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).