tert-butyl N-methyl-N-[2-[3-[[methyl(3-methylpentyl)amino]methyl]phenoxy]-2-phenylethyl]carbamate

C28H42N2O3 — CID 145395929

IUPACtert-butyl N-methyl-N-[2-[3-[[methyl(3-methylpentyl)amino]methyl]phenoxy]-2-phenylethyl]carbamate
SMILESCCC(C)CCN(C)Cc1cccc(OC(CN(C)C(=O)OC(C)(C)C)c2ccccc2)c1
InChIInChI=1S/C28H42N2O3/c1-8-22(2)17-18-29(6)20-23-13-12-16-25(19-23)32-26(24-14-10-9-11-15-24)21-30(7)27(31)33-28(3,4)5/h9-16,19,22,26H,8,17-18,20-21H2,1-7H3
InChIKeyFJSWKAATWZDGLR-UHFFFAOYSA-N
MW454.66 g/mol
LogP6.54
Rot. Bonds11

About tert-butyl N-methyl-N-[2-[3-[[methyl(3-methylpentyl)amino]methyl]phenoxy]-2-phenylethyl]carbamate

tert-butyl N-methyl-N-[2-[3-[[methyl(3-methylpentyl)amino]methyl]phenoxy]-2-phenylethyl]carbamate (PubChem CID 145395929) has the molecular formula C28H42N2O3 and a molecular weight of 454.66 g/mol. Its IUPAC name is tert-butyl N-methyl-N-[2-[3-[[methyl(3-methylpentyl)amino]methyl]phenoxy]-2-phenylethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-methyl-N-[2-[3-[[methyl(3-methylpentyl)amino]methyl]phenoxy]-2-phenylethyl]carbamate
PubChem CID145395929
Molecular FormulaC28H42N2O3
Molecular Weight454.66 g/mol
Exact Mass454.32
IUPAC Nametert-butyl N-methyl-N-[2-[3-[[methyl(3-methylpentyl)amino]methyl]phenoxy]-2-phenylethyl]carbamate
SMILESCCC(C)CCN(C)Cc1cccc(OC(CN(C)C(=O)OC(C)(C)C)c2ccccc2)c1
InChIInChI=1S/C28H42N2O3/c1-8-22(2)17-18-29(6)20-23-13-12-16-25(19-23)32-26(24-14-10-9-11-15-24)21-30(7)27(31)33-28(3,4)5/h9-16,19,22,26H,8,17-18,20-21H2,1-7H3
InChIKeyFJSWKAATWZDGLR-UHFFFAOYSA-N
XLogP6.54
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.66
LogP ≤ 56.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-methyl-N-[2-[3-[[methyl(3-methylpentyl)amino]methyl]phenoxy]-2-phenylethyl]carbamate with MolForge

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Related Compounds

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tert-butyl N-[3-[[3-[acetyl(benzyl)amino]phenyl]methoxy]-3-phenylpropyl]-N-methylcarbamate
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tert-butyl N-(2-amino-2-phenylethyl)-N-methylcarbamate
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tert-butyl N-[(3R)-3-(2-methoxyphenoxy)-3-phenylpropyl]-N-methylcarbamate
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tert-butyl N-[3-[[3-[[(2E,4E)-5-(ethylamino)-3-methyl-2-[(Z)-2-methylbut-1-enyl]hexa-2,4-dienoyl]-(3-methylpentyl)amino]phenyl]methoxy]-3-phenylpropyl]-N-methylcarbamate
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tert-butyl N-(3-oxopropyl)-N-[(3-phenoxyphenyl)methyl]carbamate
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[4-[1-hydroxy-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]phenyl] 2-phenylpropanoate
CID 67438948
tert-butyl N-[[3-(ethylamino)phenyl]methyl]-N-methylcarbamate
CID 107243019
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-methyl-N-[2-[3-[[methyl(3-methylpentyl)amino]methyl]phenoxy]-2-phenylethyl]carbamate?
The IUPAC name of tert-butyl N-methyl-N-[2-[3-[[methyl(3-methylpentyl)amino]methyl]phenoxy]-2-phenylethyl]carbamate (CID 145395929) is tert-butyl N-methyl-N-[2-[3-[[methyl(3-methylpentyl)amino]methyl]phenoxy]-2-phenylethyl]carbamate.
What is the SMILES notation for tert-butyl N-methyl-N-[2-[3-[[methyl(3-methylpentyl)amino]methyl]phenoxy]-2-phenylethyl]carbamate?
The canonical SMILES for tert-butyl N-methyl-N-[2-[3-[[methyl(3-methylpentyl)amino]methyl]phenoxy]-2-phenylethyl]carbamate is CCC(C)CCN(C)Cc1cccc(OC(CN(C)C(=O)OC(C)(C)C)c2ccccc2)c1.
What is the InChIKey of tert-butyl N-methyl-N-[2-[3-[[methyl(3-methylpentyl)amino]methyl]phenoxy]-2-phenylethyl]carbamate?
The InChIKey is FJSWKAATWZDGLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H42N2O3/c1-8-22(2)17-18-29(6)20-23-13-12-16-25(19-23)32-26(24-14-10-9-11-15-24)21-30(7)27(31)33-28(3,4)5/h9-16,19,22,26H,8,17-18,20-21H2,1-7H3.
What are the key properties of tert-butyl N-methyl-N-[2-[3-[[methyl(3-methylpentyl)amino]methyl]phenoxy]-2-phenylethyl]carbamate?
tert-butyl N-methyl-N-[2-[3-[[methyl(3-methylpentyl)amino]methyl]phenoxy]-2-phenylethyl]carbamate has a molecular weight of 454.66 g/mol, XLogP of 6.54, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-methyl-N-[2-[3-[[methyl(3-methylpentyl)amino]methyl]phenoxy]-2-phenylethyl]carbamate is sourced from PubChem (CID 145395929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).