tert-butyl N-[[4-[(3-benzamidophenyl)methoxy]phenyl]methyl]-N-(2-phenylethyl)carbamate

C34H36N2O4 — CID 45280824

IUPACtert-butyl N-[[4-[(3-benzamidophenyl)methoxy]phenyl]methyl]-N-(2-phenylethyl)carbamate
SMILESCC(C)(C)OC(=O)N(CCc1ccccc1)Cc1ccc(OCc2cccc(NC(=O)c3ccccc3)c2)cc1
InChIInChI=1S/C34H36N2O4/c1-34(2,3)40-33(38)36(22-21-26-11-6-4-7-12-26)24-27-17-19-31(20-18-27)39-25-28-13-10-16-30(23-28)35-32(37)29-14-8-5-9-15-29/h4-20,23H,21-22,24-25H2,1-3H3,(H,35,37)
InChIKeyFJTQTCXWMJMOKE-UHFFFAOYSA-N
MW536.67 g/mol
LogP7.50
Rot. Bonds10

About tert-butyl N-[[4-[(3-benzamidophenyl)methoxy]phenyl]methyl]-N-(2-phenylethyl)carbamate

tert-butyl N-[[4-[(3-benzamidophenyl)methoxy]phenyl]methyl]-N-(2-phenylethyl)carbamate (PubChem CID 45280824) has the molecular formula C34H36N2O4 and a molecular weight of 536.67 g/mol. Its IUPAC name is tert-butyl N-[[4-[(3-benzamidophenyl)methoxy]phenyl]methyl]-N-(2-phenylethyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-[[4-[(3-benzamidophenyl)methoxy]phenyl]methyl]-N-(2-phenylethyl)carbamate
PubChem CID45280824
Molecular FormulaC34H36N2O4
Molecular Weight536.67 g/mol
Exact Mass536.27
IUPAC Nametert-butyl N-[[4-[(3-benzamidophenyl)methoxy]phenyl]methyl]-N-(2-phenylethyl)carbamate
SMILESCC(C)(C)OC(=O)N(CCc1ccccc1)Cc1ccc(OCc2cccc(NC(=O)c3ccccc3)c2)cc1
InChIInChI=1S/C34H36N2O4/c1-34(2,3)40-33(38)36(22-21-26-11-6-4-7-12-26)24-27-17-19-31(20-18-27)39-25-28-13-10-16-30(23-28)35-32(37)29-14-8-5-9-15-29/h4-20,23H,21-22,24-25H2,1-3H3,(H,35,37)
InChIKeyFJTQTCXWMJMOKE-UHFFFAOYSA-N
XLogP7.50
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.67
LogP ≤ 57.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[[4-[[3-(cyclopropanecarbonylamino)phenyl]methoxy]phenyl]methyl]-N-(2-phenylethyl)carbamate
CID 45280827
tert-butyl N-[[3-[(4-benzamidobenzoyl)amino]phenyl]methyl]-N-methylcarbamate
CID 55647395
tert-butyl N-benzyl-N-[2-[4-(3-hydroxyphenyl)sulfanylphenyl]ethyl]carbamate
CID 91503226
N-[3-(phenoxymethyl)phenyl]-4-(trifluoromethyl)benzamide
CID 91610384
3-[(4-phenylmethoxybenzoyl)amino]benzamide
CID 78779054
6-[4-[2-[benzyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]phenyl]pyridine-3-carboxylic acid
CID 141102959
3-[[3-[(3-methylphenyl)methoxy]benzoyl]amino]benzoic acid
CID 164625380
tert-butyl N-benzyl-N-[[2-[[3-(cyclobutanecarbonylamino)phenyl]methoxy]phenyl]methyl]carbamate
CID 45280849
tert-butyl 2-[4-[4-[2-[benzyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]phenyl]sulfanylphenyl]acetate
CID 86592657
4-(2-phenoxyethoxy)-N-(3-phenylmethoxyphenyl)benzamide
CID 17086099
benzyl 3-[[(2-methylpropan-2-yl)oxycarbonyl-(2-phenylethyl)carbamoyl]amino]benzoate
CID 22411339
2-[[2-[4-[4-[(3-benzamidophenyl)methoxy]phenoxy]phenyl]acetyl]amino]benzoic acid
CID 22484939

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[4-[(3-benzamidophenyl)methoxy]phenyl]methyl]-N-(2-phenylethyl)carbamate?
The IUPAC name of tert-butyl N-[[4-[(3-benzamidophenyl)methoxy]phenyl]methyl]-N-(2-phenylethyl)carbamate (CID 45280824) is tert-butyl N-[[4-[(3-benzamidophenyl)methoxy]phenyl]methyl]-N-(2-phenylethyl)carbamate.
What is the SMILES notation for tert-butyl N-[[4-[(3-benzamidophenyl)methoxy]phenyl]methyl]-N-(2-phenylethyl)carbamate?
The canonical SMILES for tert-butyl N-[[4-[(3-benzamidophenyl)methoxy]phenyl]methyl]-N-(2-phenylethyl)carbamate is CC(C)(C)OC(=O)N(CCc1ccccc1)Cc1ccc(OCc2cccc(NC(=O)c3ccccc3)c2)cc1.
What is the InChIKey of tert-butyl N-[[4-[(3-benzamidophenyl)methoxy]phenyl]methyl]-N-(2-phenylethyl)carbamate?
The InChIKey is FJTQTCXWMJMOKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H36N2O4/c1-34(2,3)40-33(38)36(22-21-26-11-6-4-7-12-26)24-27-17-19-31(20-18-27)39-25-28-13-10-16-30(23-28)35-32(37)29-14-8-5-9-15-29/h4-20,23H,21-22,24-25H2,1-3H3,(H,35,37).
What are the key properties of tert-butyl N-[[4-[(3-benzamidophenyl)methoxy]phenyl]methyl]-N-(2-phenylethyl)carbamate?
tert-butyl N-[[4-[(3-benzamidophenyl)methoxy]phenyl]methyl]-N-(2-phenylethyl)carbamate has a molecular weight of 536.67 g/mol, XLogP of 7.50, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[4-[(3-benzamidophenyl)methoxy]phenyl]methyl]-N-(2-phenylethyl)carbamate is sourced from PubChem (CID 45280824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).