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

C31H36N2O4 — CID 45280827

IUPACtert-butyl N-[[4-[[3-(cyclopropanecarbonylamino)phenyl]methoxy]phenyl]methyl]-N-(2-phenylethyl)carbamate
SMILESCC(C)(C)OC(=O)N(CCc1ccccc1)Cc1ccc(OCc2cccc(NC(=O)C3CC3)c2)cc1
InChIInChI=1S/C31H36N2O4/c1-31(2,3)37-30(35)33(19-18-23-8-5-4-6-9-23)21-24-12-16-28(17-13-24)36-22-25-10-7-11-27(20-25)32-29(34)26-14-15-26/h4-13,16-17,20,26H,14-15,18-19,21-22H2,1-3H3,(H,32,34)
InChIKeyLKBVWATVFXCMRO-UHFFFAOYSA-N
MW500.64 g/mol
LogP6.59
Rot. Bonds10

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

tert-butyl N-[[4-[[3-(cyclopropanecarbonylamino)phenyl]methoxy]phenyl]methyl]-N-(2-phenylethyl)carbamate (PubChem CID 45280827) has the molecular formula C31H36N2O4 and a molecular weight of 500.64 g/mol. Its IUPAC name is tert-butyl N-[[4-[[3-(cyclopropanecarbonylamino)phenyl]methoxy]phenyl]methyl]-N-(2-phenylethyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-[[4-[[3-(cyclopropanecarbonylamino)phenyl]methoxy]phenyl]methyl]-N-(2-phenylethyl)carbamate
PubChem CID45280827
Molecular FormulaC31H36N2O4
Molecular Weight500.64 g/mol
Exact Mass500.27
IUPAC Nametert-butyl N-[[4-[[3-(cyclopropanecarbonylamino)phenyl]methoxy]phenyl]methyl]-N-(2-phenylethyl)carbamate
SMILESCC(C)(C)OC(=O)N(CCc1ccccc1)Cc1ccc(OCc2cccc(NC(=O)C3CC3)c2)cc1
InChIInChI=1S/C31H36N2O4/c1-31(2,3)37-30(35)33(19-18-23-8-5-4-6-9-23)21-24-12-16-28(17-13-24)36-22-25-10-7-11-27(20-25)32-29(34)26-14-15-26/h4-13,16-17,20,26H,14-15,18-19,21-22H2,1-3H3,(H,32,34)
InChIKeyLKBVWATVFXCMRO-UHFFFAOYSA-N
XLogP6.59
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.64
LogP ≤ 56.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-[[4-[[3-(cyclopropanecarbonylamino)phenyl]methoxy]phenyl]methyl]-N-(2-phenylethyl)carbamate with MolForge

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Related Compounds

tert-butyl N-[[4-[(3-benzamidophenyl)methoxy]phenyl]methyl]-N-(2-phenylethyl)carbamate
CID 45280824
tert-butyl N-benzyl-N-[[2-[[3-(cyclobutanecarbonylamino)phenyl]methoxy]phenyl]methyl]carbamate
CID 45280849
tert-butyl N-benzyl-N-[2-[4-(3-hydroxyphenyl)sulfanylphenyl]ethyl]carbamate
CID 91503226
N-[3-[[4-(cyanomethyl)phenoxy]methyl]phenyl]cyclopentanecarboxamide
CID 154833379
N-[4-(4-phenylmethoxyanilino)phenyl]cyclopropanecarboxamide
CID 112988911
N-[4-(2-phenylethoxy)phenyl]cyclopropanecarboxamide
CID 15943236
tert-butyl 2-[4-[4-[2-[benzyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]phenyl]sulfanylphenyl]acetate
CID 86592657
tert-butyl 3-[[3-[(4-phenylphenyl)methoxy]phenyl]carbamoyl]piperidine-1-carboxylate
CID 25223091
6-[4-[2-[benzyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]phenyl]pyridine-3-carboxylic acid
CID 141102959
4-N-(4-phenylmethoxyphenyl)-1-N-propylcyclohexane-1,4-dicarboxamide
CID 109144415
N-(3-amino-2,2-dimethylpropyl)-N-[[3-(cyclobutanecarbonylamino)phenyl]methyl]benzamide
CID 23823129
N-[4-methyl-3-[[2-(4-phenylmethoxyphenoxy)acetyl]amino]phenyl]cyclopropanecarboxamide
CID 46487328

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[4-[[3-(cyclopropanecarbonylamino)phenyl]methoxy]phenyl]methyl]-N-(2-phenylethyl)carbamate?
The IUPAC name of tert-butyl N-[[4-[[3-(cyclopropanecarbonylamino)phenyl]methoxy]phenyl]methyl]-N-(2-phenylethyl)carbamate (CID 45280827) is tert-butyl N-[[4-[[3-(cyclopropanecarbonylamino)phenyl]methoxy]phenyl]methyl]-N-(2-phenylethyl)carbamate.
What is the SMILES notation for tert-butyl N-[[4-[[3-(cyclopropanecarbonylamino)phenyl]methoxy]phenyl]methyl]-N-(2-phenylethyl)carbamate?
The canonical SMILES for tert-butyl N-[[4-[[3-(cyclopropanecarbonylamino)phenyl]methoxy]phenyl]methyl]-N-(2-phenylethyl)carbamate is CC(C)(C)OC(=O)N(CCc1ccccc1)Cc1ccc(OCc2cccc(NC(=O)C3CC3)c2)cc1.
What is the InChIKey of tert-butyl N-[[4-[[3-(cyclopropanecarbonylamino)phenyl]methoxy]phenyl]methyl]-N-(2-phenylethyl)carbamate?
The InChIKey is LKBVWATVFXCMRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H36N2O4/c1-31(2,3)37-30(35)33(19-18-23-8-5-4-6-9-23)21-24-12-16-28(17-13-24)36-22-25-10-7-11-27(20-25)32-29(34)26-14-15-26/h4-13,16-17,20,26H,14-15,18-19,21-22H2,1-3H3,(H,32,34).
What are the key properties of tert-butyl N-[[4-[[3-(cyclopropanecarbonylamino)phenyl]methoxy]phenyl]methyl]-N-(2-phenylethyl)carbamate?
tert-butyl N-[[4-[[3-(cyclopropanecarbonylamino)phenyl]methoxy]phenyl]methyl]-N-(2-phenylethyl)carbamate has a molecular weight of 500.64 g/mol, XLogP of 6.59, 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-(cyclopropanecarbonylamino)phenyl]methoxy]phenyl]methyl]-N-(2-phenylethyl)carbamate is sourced from PubChem (CID 45280827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).