tert-butyl N-[2-(4-methoxy-N-methylanilino)-2-oxoethyl]carbamate

C15H22N2O4 — CID 118576936

IUPACtert-butyl N-[2-(4-methoxy-N-methylanilino)-2-oxoethyl]carbamate
SMILESCOc1ccc(N(C)C(=O)CNC(=O)OC(C)(C)C)cc1
InChIInChI=1S/C15H22N2O4/c1-15(2,3)21-14(19)16-10-13(18)17(4)11-6-8-12(20-5)9-7-11/h6-9H,10H2,1-5H3,(H,16,19)
InChIKeyFRIGQCMWKBRKNR-UHFFFAOYSA-N
MW294.35 g/mol
LogP2.18
Rot. Bonds4

About tert-butyl N-[2-(4-methoxy-N-methylanilino)-2-oxoethyl]carbamate

tert-butyl N-[2-(4-methoxy-N-methylanilino)-2-oxoethyl]carbamate (PubChem CID 118576936) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is tert-butyl N-[2-(4-methoxy-N-methylanilino)-2-oxoethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(4-methoxy-N-methylanilino)-2-oxoethyl]carbamate
PubChem CID118576936
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Nametert-butyl N-[2-(4-methoxy-N-methylanilino)-2-oxoethyl]carbamate
SMILESCOc1ccc(N(C)C(=O)CNC(=O)OC(C)(C)C)cc1
InChIInChI=1S/C15H22N2O4/c1-15(2,3)21-14(19)16-10-13(18)17(4)11-6-8-12(20-5)9-7-11/h6-9H,10H2,1-5H3,(H,16,19)
InChIKeyFRIGQCMWKBRKNR-UHFFFAOYSA-N
XLogP2.18
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[2-(3,4-dimethoxy-N-methylanilino)-2-oxoethyl]carbamate
CID 118576972
N-(4-methoxyphenyl)-N-methyl-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112605370
tert-butyl N-[2-[[1-(4-methoxy-N-methylanilino)-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]carbamate
CID 175242308
tert-butyl N-[2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-2-oxoethyl]carbamate
CID 60596382
methyl N-[2-(N-methylanilino)-2-oxoethyl]carbamate
CID 112996292
2-chloro-N-(4-methoxyphenyl)-N-methylacetamide
CID 4714233
tert-butyl N-[3-deuterio-2-(4-methoxyphenyl)prop-2-enyl]carbamate
CID 16687001
tert-butyl N-[2-[[1-(4-hydroxyphenyl)-2-(4-methoxyanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]carbamate
CID 18015184
tert-butyl N-[2-(4-methoxyanilino)ethyl]carbamate
CID 112689424
tert-butyl N-[2-[(4-methoxybenzoyl)amino]ethyl]carbamate
CID 71505026
tert-butyl N-[2-[N-(dimethylcarbamoyl)anilino]-2-oxoethyl]carbamate
CID 69441199
tert-butyl N-[(2S)-1-(4-methoxy-N-methylanilino)-1-oxo-4-phenylbutan-2-yl]carbamate;molecular hydrogen
CID 144836107

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(4-methoxy-N-methylanilino)-2-oxoethyl]carbamate?
The IUPAC name of tert-butyl N-[2-(4-methoxy-N-methylanilino)-2-oxoethyl]carbamate (CID 118576936) is tert-butyl N-[2-(4-methoxy-N-methylanilino)-2-oxoethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(4-methoxy-N-methylanilino)-2-oxoethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(4-methoxy-N-methylanilino)-2-oxoethyl]carbamate is COc1ccc(N(C)C(=O)CNC(=O)OC(C)(C)C)cc1.
What is the InChIKey of tert-butyl N-[2-(4-methoxy-N-methylanilino)-2-oxoethyl]carbamate?
The InChIKey is FRIGQCMWKBRKNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-15(2,3)21-14(19)16-10-13(18)17(4)11-6-8-12(20-5)9-7-11/h6-9H,10H2,1-5H3,(H,16,19).
What are the key properties of tert-butyl N-[2-(4-methoxy-N-methylanilino)-2-oxoethyl]carbamate?
tert-butyl N-[2-(4-methoxy-N-methylanilino)-2-oxoethyl]carbamate has a molecular weight of 294.35 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(4-methoxy-N-methylanilino)-2-oxoethyl]carbamate is sourced from PubChem (CID 118576936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).