tert-butyl carbamate;3-hydroxy-2-methyl-N-[4-[2-[4-(2-methylphenyl)phenyl]ethoxy]phenyl]propanamide

C30H38N2O5 — CID 143188326

IUPACtert-butyl carbamate;3-hydroxy-2-methyl-N-[4-[2-[4-(2-methylphenyl)phenyl]ethoxy]phenyl]propanamide
SMILESCC(C)(C)OC(N)=O.Cc1ccccc1-c1ccc(CCOc2ccc(NC(=O)C(C)CO)cc2)cc1
InChIInChI=1S/C25H27NO3.C5H11NO2/c1-18-5-3-4-6-24(18)21-9-7-20(8-10-21)15-16-29-23-13-11-22(12-14-23)26-25(28)19(2)17-27;1-5(2,3)8-4(6)7/h3-14,19,27H,15-17H2,1-2H3,(H,26,28);1-3H3,(H2,6,7)
InChIKeyFHNUCTQCKLVCBE-UHFFFAOYSA-N
MW506.64 g/mol
LogP5.73
Rot. Bonds8

About tert-butyl carbamate;3-hydroxy-2-methyl-N-[4-[2-[4-(2-methylphenyl)phenyl]ethoxy]phenyl]propanamide

tert-butyl carbamate;3-hydroxy-2-methyl-N-[4-[2-[4-(2-methylphenyl)phenyl]ethoxy]phenyl]propanamide (PubChem CID 143188326) has the molecular formula C30H38N2O5 and a molecular weight of 506.64 g/mol. Its IUPAC name is tert-butyl carbamate;3-hydroxy-2-methyl-N-[4-[2-[4-(2-methylphenyl)phenyl]ethoxy]phenyl]propanamide.

Molecular Properties

Compound Nametert-butyl carbamate;3-hydroxy-2-methyl-N-[4-[2-[4-(2-methylphenyl)phenyl]ethoxy]phenyl]propanamide
PubChem CID143188326
Molecular FormulaC30H38N2O5
Molecular Weight506.64 g/mol
Exact Mass506.28
IUPAC Nametert-butyl carbamate;3-hydroxy-2-methyl-N-[4-[2-[4-(2-methylphenyl)phenyl]ethoxy]phenyl]propanamide
SMILESCC(C)(C)OC(N)=O.Cc1ccccc1-c1ccc(CCOc2ccc(NC(=O)C(C)CO)cc2)cc1
InChIInChI=1S/C25H27NO3.C5H11NO2/c1-18-5-3-4-6-24(18)21-9-7-20(8-10-21)15-16-29-23-13-11-22(12-14-23)26-25(28)19(2)17-27;1-5(2,3)8-4(6)7/h3-14,19,27H,15-17H2,1-2H3,(H,26,28);1-3H3,(H2,6,7)
InChIKeyFHNUCTQCKLVCBE-UHFFFAOYSA-N
XLogP5.73
TPSA110.88 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.64
LogP ≤ 55.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[2-[4-(2-cyanophenyl)phenyl]ethoxy]phenyl]-3-hydroxy-2-methylpropanamide
CID 143188435
2-amino-N-[4-[2-[4-(4-chlorophenyl)phenyl]ethoxy]phenyl]-3-hydroxypropanamide
CID 143188428
N-(4-methylphenyl)-2-[4-(2-phenylethoxy)anilino]acetamide
CID 54824064
2-phenoxy-N-[4-(2-phenylethoxy)phenyl]propanamide
CID 17066974
[(2S)-2-amino-2-methyl-3-oxo-3-[4-[2-(4-phenylphenyl)ethoxy]anilino]propyl] dihydrogen phosphate
CID 11540052
N-[4-(2-phenylethoxy)phenyl]-2-(4-propan-2-yloxyanilino)acetamide
CID 54822610
N-[4-[2-(4-methylphenyl)ethoxy]phenyl]acetamide
CID 13017655
2-(4-phenylphenoxy)-N-[4-(3-phenylpropoxy)phenyl]propanamide
CID 17130212
3-methyl-N-[4-[[2-[4-(2-phenylethoxy)anilino]acetyl]amino]phenyl]butanamide
CID 54823706
2-(4-methylphenoxy)-N-[4-(2-phenylethoxy)phenyl]butanamide
CID 17066984
tert-butyl N-[4-[2-[4-(1-propoxyethyl)phenoxy]ethyl]phenyl]carbamate
CID 173230831
tert-butyl N-[4-(2-hydroxyethyl)phenyl]carbamate;ethyl 2-ethoxy-3-[4-[2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]ethoxy]phenyl]propanoate
CID 157427417

Frequently Asked Questions

What is the IUPAC name of tert-butyl carbamate;3-hydroxy-2-methyl-N-[4-[2-[4-(2-methylphenyl)phenyl]ethoxy]phenyl]propanamide?
The IUPAC name of tert-butyl carbamate;3-hydroxy-2-methyl-N-[4-[2-[4-(2-methylphenyl)phenyl]ethoxy]phenyl]propanamide (CID 143188326) is tert-butyl carbamate;3-hydroxy-2-methyl-N-[4-[2-[4-(2-methylphenyl)phenyl]ethoxy]phenyl]propanamide.
What is the SMILES notation for tert-butyl carbamate;3-hydroxy-2-methyl-N-[4-[2-[4-(2-methylphenyl)phenyl]ethoxy]phenyl]propanamide?
The canonical SMILES for tert-butyl carbamate;3-hydroxy-2-methyl-N-[4-[2-[4-(2-methylphenyl)phenyl]ethoxy]phenyl]propanamide is CC(C)(C)OC(N)=O.Cc1ccccc1-c1ccc(CCOc2ccc(NC(=O)C(C)CO)cc2)cc1.
What is the InChIKey of tert-butyl carbamate;3-hydroxy-2-methyl-N-[4-[2-[4-(2-methylphenyl)phenyl]ethoxy]phenyl]propanamide?
The InChIKey is FHNUCTQCKLVCBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27NO3.C5H11NO2/c1-18-5-3-4-6-24(18)21-9-7-20(8-10-21)15-16-29-23-13-11-22(12-14-23)26-25(28)19(2)17-27;1-5(2,3)8-4(6)7/h3-14,19,27H,15-17H2,1-2H3,(H,26,28);1-3H3,(H2,6,7).
What are the key properties of tert-butyl carbamate;3-hydroxy-2-methyl-N-[4-[2-[4-(2-methylphenyl)phenyl]ethoxy]phenyl]propanamide?
tert-butyl carbamate;3-hydroxy-2-methyl-N-[4-[2-[4-(2-methylphenyl)phenyl]ethoxy]phenyl]propanamide has a molecular weight of 506.64 g/mol, XLogP of 5.73, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl carbamate;3-hydroxy-2-methyl-N-[4-[2-[4-(2-methylphenyl)phenyl]ethoxy]phenyl]propanamide is sourced from PubChem (CID 143188326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).