tert-butyl N-[3-[3-[benzoyl(methyl)amino]phenoxy]-3-phenylpropyl]-N-methylcarbamate

C29H34N2O4 — CID 151258384

IUPACtert-butyl N-[3-[3-[benzoyl(methyl)amino]phenoxy]-3-phenylpropyl]-N-methylcarbamate
SMILESCN(CCC(Oc1cccc(N(C)C(=O)c2ccccc2)c1)c1ccccc1)C(=O)OC(C)(C)C
InChIInChI=1S/C29H34N2O4/c1-29(2,3)35-28(33)30(4)20-19-26(22-13-8-6-9-14-22)34-25-18-12-17-24(21-25)31(5)27(32)23-15-10-7-11-16-23/h6-18,21,26H,19-20H2,1-5H3
InChIKeyNTVIDBYYIUFIKD-UHFFFAOYSA-N
MW474.60 g/mol
LogP6.34
Rot. Bonds8

About tert-butyl N-[3-[3-[benzoyl(methyl)amino]phenoxy]-3-phenylpropyl]-N-methylcarbamate

tert-butyl N-[3-[3-[benzoyl(methyl)amino]phenoxy]-3-phenylpropyl]-N-methylcarbamate (PubChem CID 151258384) has the molecular formula C29H34N2O4 and a molecular weight of 474.60 g/mol. Its IUPAC name is tert-butyl N-[3-[3-[benzoyl(methyl)amino]phenoxy]-3-phenylpropyl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[3-[benzoyl(methyl)amino]phenoxy]-3-phenylpropyl]-N-methylcarbamate
PubChem CID151258384
Molecular FormulaC29H34N2O4
Molecular Weight474.60 g/mol
Exact Mass474.25
IUPAC Nametert-butyl N-[3-[3-[benzoyl(methyl)amino]phenoxy]-3-phenylpropyl]-N-methylcarbamate
SMILESCN(CCC(Oc1cccc(N(C)C(=O)c2ccccc2)c1)c1ccccc1)C(=O)OC(C)(C)C
InChIInChI=1S/C29H34N2O4/c1-29(2,3)35-28(33)30(4)20-19-26(22-13-8-6-9-14-22)34-25-18-12-17-24(21-25)31(5)27(32)23-15-10-7-11-16-23/h6-18,21,26H,19-20H2,1-5H3
InChIKeyNTVIDBYYIUFIKD-UHFFFAOYSA-N
XLogP6.34
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.60
LogP ≤ 56.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[(3R)-3-(2-methoxyphenoxy)-3-phenylpropyl]-N-methylcarbamate
CID 142700885
methyl 3-fluoro-5-[(1S)-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-1-phenylpropoxy]pyridine-2-carboxylate
CID 156780484
tert-butyl N-[3-[[3-[acetyl(benzyl)amino]phenyl]methoxy]-3-phenylpropyl]-N-methylcarbamate
CID 155662008
3-[3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propoxy]benzoic acid
CID 166174882
tert-butyl N-methyl-N-[2-[3-[[methyl(3-methylpentyl)amino]methyl]phenoxy]-2-phenylethyl]carbamate
CID 145395929
phenyl N-[3-(4-methoxyphenoxy)-3-phenylpropyl]-N-methylcarbamate
CID 69379640
tert-butyl N-methyl-N-[3-phenyl-3-[2-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]phenoxy]propyl]carbamate
CID 151294931
tert-butyl N-methyl-N-(4-methyl-5-oxo-5-phenylpentyl)carbamate
CID 143215309
N-[3-[benzoyl(methyl)amino]phenyl]-N-methylbenzamide
CID 59642334
tert-butyl N-methyl-N-[3-[2-(4-methyl-7-oxo-1,4-diazepan-1-yl)phenoxy]-3-phenylpropyl]carbamate
CID 151534211
N-methyl-N-[3-(N-methylanilino)phenyl]benzamide
CID 129066255
4-[(3-methoxyphenyl)-methylcarbamoyl]benzoic acid
CID 62003468

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[3-[benzoyl(methyl)amino]phenoxy]-3-phenylpropyl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[3-[3-[benzoyl(methyl)amino]phenoxy]-3-phenylpropyl]-N-methylcarbamate (CID 151258384) is tert-butyl N-[3-[3-[benzoyl(methyl)amino]phenoxy]-3-phenylpropyl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[3-[3-[benzoyl(methyl)amino]phenoxy]-3-phenylpropyl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[3-[3-[benzoyl(methyl)amino]phenoxy]-3-phenylpropyl]-N-methylcarbamate is CN(CCC(Oc1cccc(N(C)C(=O)c2ccccc2)c1)c1ccccc1)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[3-[3-[benzoyl(methyl)amino]phenoxy]-3-phenylpropyl]-N-methylcarbamate?
The InChIKey is NTVIDBYYIUFIKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34N2O4/c1-29(2,3)35-28(33)30(4)20-19-26(22-13-8-6-9-14-22)34-25-18-12-17-24(21-25)31(5)27(32)23-15-10-7-11-16-23/h6-18,21,26H,19-20H2,1-5H3.
What are the key properties of tert-butyl N-[3-[3-[benzoyl(methyl)amino]phenoxy]-3-phenylpropyl]-N-methylcarbamate?
tert-butyl N-[3-[3-[benzoyl(methyl)amino]phenoxy]-3-phenylpropyl]-N-methylcarbamate has a molecular weight of 474.60 g/mol, XLogP of 6.34, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-[3-[benzoyl(methyl)amino]phenoxy]-3-phenylpropyl]-N-methylcarbamate is sourced from PubChem (CID 151258384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).