tert-butyl N-methyl-N-[2-[4-(3-methylphenoxy)phenyl]ethyl]carbamate

C21H27NO3 — CID 67952576

IUPACtert-butyl N-methyl-N-[2-[4-(3-methylphenoxy)phenyl]ethyl]carbamate
SMILESCc1cccc(Oc2ccc(CCN(C)C(=O)OC(C)(C)C)cc2)c1
InChIInChI=1S/C21H27NO3/c1-16-7-6-8-19(15-16)24-18-11-9-17(10-12-18)13-14-22(5)20(23)25-21(2,3)4/h6-12,15H,13-14H2,1-5H3
InChIKeyGLSYDJHQVTYTQM-UHFFFAOYSA-N
MW341.45 g/mol
LogP5.20
Rot. Bonds5

About tert-butyl N-methyl-N-[2-[4-(3-methylphenoxy)phenyl]ethyl]carbamate

tert-butyl N-methyl-N-[2-[4-(3-methylphenoxy)phenyl]ethyl]carbamate (PubChem CID 67952576) has the molecular formula C21H27NO3 and a molecular weight of 341.45 g/mol. Its IUPAC name is tert-butyl N-methyl-N-[2-[4-(3-methylphenoxy)phenyl]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-methyl-N-[2-[4-(3-methylphenoxy)phenyl]ethyl]carbamate
PubChem CID67952576
Molecular FormulaC21H27NO3
Molecular Weight341.45 g/mol
Exact Mass341.20
IUPAC Nametert-butyl N-methyl-N-[2-[4-(3-methylphenoxy)phenyl]ethyl]carbamate
SMILESCc1cccc(Oc2ccc(CCN(C)C(=O)OC(C)(C)C)cc2)c1
InChIInChI=1S/C21H27NO3/c1-16-7-6-8-19(15-16)24-18-11-9-17(10-12-18)13-14-22(5)20(23)25-21(2,3)4/h6-12,15H,13-14H2,1-5H3
InChIKeyGLSYDJHQVTYTQM-UHFFFAOYSA-N
XLogP5.20
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.45
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[2-[4-[4-chloro-3-(trifluoromethyl)phenoxy]phenyl]ethyl]-N-methylcarbamate
CID 67775169
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CID 10083475
[4-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]phenyl] naphthalene-1-carboxylate
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tert-butyl N-methyl-N-[2-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]ethyl]carbamate
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tert-butyl N-(3-oxopropyl)-N-[2-(3-phenoxyphenyl)ethyl]carbamate
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tert-butyl N-[2-(4-isocyanatophenyl)ethyl]-N-methylcarbamate
CID 58108870
5-[4-(3-methylphenoxy)phenyl]pentan-1-ol
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ethyl 5-[4-(3-methylphenoxy)phenyl]pentanoate
CID 139655795
1-ethyl-4-(3-methylphenoxy)benzene
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(2S)-2-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]-3-(3-methylphenyl)propanoic acid
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-methyl-N-[2-[4-(3-methylphenoxy)phenyl]ethyl]carbamate?
The IUPAC name of tert-butyl N-methyl-N-[2-[4-(3-methylphenoxy)phenyl]ethyl]carbamate (CID 67952576) is tert-butyl N-methyl-N-[2-[4-(3-methylphenoxy)phenyl]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-methyl-N-[2-[4-(3-methylphenoxy)phenyl]ethyl]carbamate?
The canonical SMILES for tert-butyl N-methyl-N-[2-[4-(3-methylphenoxy)phenyl]ethyl]carbamate is Cc1cccc(Oc2ccc(CCN(C)C(=O)OC(C)(C)C)cc2)c1.
What is the InChIKey of tert-butyl N-methyl-N-[2-[4-(3-methylphenoxy)phenyl]ethyl]carbamate?
The InChIKey is GLSYDJHQVTYTQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO3/c1-16-7-6-8-19(15-16)24-18-11-9-17(10-12-18)13-14-22(5)20(23)25-21(2,3)4/h6-12,15H,13-14H2,1-5H3.
What are the key properties of tert-butyl N-methyl-N-[2-[4-(3-methylphenoxy)phenyl]ethyl]carbamate?
tert-butyl N-methyl-N-[2-[4-(3-methylphenoxy)phenyl]ethyl]carbamate has a molecular weight of 341.45 g/mol, XLogP of 5.20, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-methyl-N-[2-[4-(3-methylphenoxy)phenyl]ethyl]carbamate is sourced from PubChem (CID 67952576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).