tert-butyl N-tert-butyl-N-[1-[3-[[(4-hydroxybenzoyl)amino]methyl]phenyl]-2-methylpropan-2-yl]carbamate

C27H38N2O4 — CID 91057639

IUPACtert-butyl N-tert-butyl-N-[1-[3-[[(4-hydroxybenzoyl)amino]methyl]phenyl]-2-methylpropan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)N(C(C)(C)C)C(C)(C)Cc1cccc(CNC(=O)c2ccc(O)cc2)c1
InChIInChI=1S/C27H38N2O4/c1-25(2,3)29(24(32)33-26(4,5)6)27(7,8)17-19-10-9-11-20(16-19)18-28-23(31)21-12-14-22(30)15-13-21/h9-16,30H,17-18H2,1-8H3,(H,28,31)
InChIKeyOUKYPYXINCLXLN-UHFFFAOYSA-N
MW454.61 g/mol
LogP5.68
Rot. Bonds6

About tert-butyl N-tert-butyl-N-[1-[3-[[(4-hydroxybenzoyl)amino]methyl]phenyl]-2-methylpropan-2-yl]carbamate

tert-butyl N-tert-butyl-N-[1-[3-[[(4-hydroxybenzoyl)amino]methyl]phenyl]-2-methylpropan-2-yl]carbamate (PubChem CID 91057639) has the molecular formula C27H38N2O4 and a molecular weight of 454.61 g/mol. Its IUPAC name is tert-butyl N-tert-butyl-N-[1-[3-[[(4-hydroxybenzoyl)amino]methyl]phenyl]-2-methylpropan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-tert-butyl-N-[1-[3-[[(4-hydroxybenzoyl)amino]methyl]phenyl]-2-methylpropan-2-yl]carbamate
PubChem CID91057639
Molecular FormulaC27H38N2O4
Molecular Weight454.61 g/mol
Exact Mass454.28
IUPAC Nametert-butyl N-tert-butyl-N-[1-[3-[[(4-hydroxybenzoyl)amino]methyl]phenyl]-2-methylpropan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)N(C(C)(C)C)C(C)(C)Cc1cccc(CNC(=O)c2ccc(O)cc2)c1
InChIInChI=1S/C27H38N2O4/c1-25(2,3)29(24(32)33-26(4,5)6)27(7,8)17-19-10-9-11-20(16-19)18-28-23(31)21-12-14-22(30)15-13-21/h9-16,30H,17-18H2,1-8H3,(H,28,31)
InChIKeyOUKYPYXINCLXLN-UHFFFAOYSA-N
XLogP5.68
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.61
LogP ≤ 55.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-tert-butyl-N-[1-[3-[[(4-hydroxybenzoyl)amino]methyl]phenyl]-2-methylpropan-2-yl]carbamate with MolForge

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Related Compounds

4-hydroxy-N-[[3-(hydroxymethyl)phenyl]methyl]benzamide
CID 63311474
4-methoxy-N-[[3-[[(4-methoxybenzoyl)amino]methyl]phenyl]methyl]benzamide
CID 4118576
4-tert-butyl-N-[(4-hydroxyphenyl)methyl]benzamide
CID 115577854
tert-butyl N-[1-[3-[2-[[3-(4-hydroxyphenyl)phenyl]methylamino]-2-oxoethyl]phenyl]-2-methylpropan-2-yl]carbamate
CID 15983477
tert-butyl N-[3-[[3-(methoxymethyl)phenyl]methylcarbamoyl]phenyl]carbamate
CID 46470838
tert-butyl N-[4-(benzylcarbamoyl)phenyl]carbamate
CID 9041136
tert-butyl N-[3-[(4-hydroxybenzoyl)amino]propyl]carbamate
CID 118973665
N-[(3-tert-butylphenyl)methyl]benzamide
CID 58788636
N-[(3-hydroxyphenyl)methyl]-4-propan-2-ylbenzamide
CID 47292127
4-[(3-methoxyphenyl)methylcarbamoyl]benzoic acid
CID 61028664
4-tert-butyl-N-[2-[[3-(methoxymethyl)phenyl]methylamino]-2-oxoethyl]benzamide
CID 46479161
3-(benzamidomethyl)benzoic acid;ethane
CID 90875099

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-tert-butyl-N-[1-[3-[[(4-hydroxybenzoyl)amino]methyl]phenyl]-2-methylpropan-2-yl]carbamate?
The IUPAC name of tert-butyl N-tert-butyl-N-[1-[3-[[(4-hydroxybenzoyl)amino]methyl]phenyl]-2-methylpropan-2-yl]carbamate (CID 91057639) is tert-butyl N-tert-butyl-N-[1-[3-[[(4-hydroxybenzoyl)amino]methyl]phenyl]-2-methylpropan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-tert-butyl-N-[1-[3-[[(4-hydroxybenzoyl)amino]methyl]phenyl]-2-methylpropan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-tert-butyl-N-[1-[3-[[(4-hydroxybenzoyl)amino]methyl]phenyl]-2-methylpropan-2-yl]carbamate is CC(C)(C)OC(=O)N(C(C)(C)C)C(C)(C)Cc1cccc(CNC(=O)c2ccc(O)cc2)c1.
What is the InChIKey of tert-butyl N-tert-butyl-N-[1-[3-[[(4-hydroxybenzoyl)amino]methyl]phenyl]-2-methylpropan-2-yl]carbamate?
The InChIKey is OUKYPYXINCLXLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H38N2O4/c1-25(2,3)29(24(32)33-26(4,5)6)27(7,8)17-19-10-9-11-20(16-19)18-28-23(31)21-12-14-22(30)15-13-21/h9-16,30H,17-18H2,1-8H3,(H,28,31).
What are the key properties of tert-butyl N-tert-butyl-N-[1-[3-[[(4-hydroxybenzoyl)amino]methyl]phenyl]-2-methylpropan-2-yl]carbamate?
tert-butyl N-tert-butyl-N-[1-[3-[[(4-hydroxybenzoyl)amino]methyl]phenyl]-2-methylpropan-2-yl]carbamate has a molecular weight of 454.61 g/mol, XLogP of 5.68, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-tert-butyl-N-[1-[3-[[(4-hydroxybenzoyl)amino]methyl]phenyl]-2-methylpropan-2-yl]carbamate is sourced from PubChem (CID 91057639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).