(4-methoxyphenyl) N-[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenyl]carbamate

C25H27NO5 — CID 142200774

IUPAC(4-methoxyphenyl) N-[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenyl]carbamate
SMILESCOc1ccc(OC(=O)Nc2cc(C)c(Oc3ccc(O)c(C(C)C)c3)c(C)c2)cc1
InChIInChI=1S/C25H27NO5/c1-15(2)22-14-21(10-11-23(22)27)30-24-16(3)12-18(13-17(24)4)26-25(28)31-20-8-6-19(29-5)7-9-20/h6-15,27H,1-5H3,(H,26,28)
InChIKeyMLQIUEWAVCGOOG-UHFFFAOYSA-N
MW421.49 g/mol
LogP6.54
Rot. Bonds6

About (4-methoxyphenyl) N-[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenyl]carbamate

(4-methoxyphenyl) N-[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenyl]carbamate (PubChem CID 142200774) has the molecular formula C25H27NO5 and a molecular weight of 421.49 g/mol. Its IUPAC name is (4-methoxyphenyl) N-[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenyl]carbamate.

Molecular Properties

Compound Name(4-methoxyphenyl) N-[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenyl]carbamate
PubChem CID142200774
Molecular FormulaC25H27NO5
Molecular Weight421.49 g/mol
Exact Mass421.19
IUPAC Name(4-methoxyphenyl) N-[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenyl]carbamate
SMILESCOc1ccc(OC(=O)Nc2cc(C)c(Oc3ccc(O)c(C(C)C)c3)c(C)c2)cc1
InChIInChI=1S/C25H27NO5/c1-15(2)22-14-21(10-11-23(22)27)30-24-16(3)12-18(13-17(24)4)26-25(28)31-20-8-6-19(29-5)7-9-20/h6-15,27H,1-5H3,(H,26,28)
InChIKeyMLQIUEWAVCGOOG-UHFFFAOYSA-N
XLogP6.54
TPSA77.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.49
LogP ≤ 56.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (4-methoxyphenyl) N-[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenyl]-3-(4-methoxyphenyl)urea
CID 142200724
formaldehyde;N-[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenyl]acetamide;methanol
CID 143340424
1-(3,5-dimethylphenyl)-3-[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenyl]urea
CID 10112746
2-acetamido-N-[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenyl]acetamide
CID 142200859
3-[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenyl]-1,1-diphenylurea
CID 142200728
N-[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenyl]morpholine-4-carboxamide
CID 142200788
4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenol
CID 25150421
N-[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenyl]-3-phenoxybenzamide
CID 142200753
N-[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 142200803
N-[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenyl]-5-oxooxolane-2-carboxamide
CID 142200847
4-(2,6-dimethylphenoxy)-2-propan-2-ylphenol
CID 90980737
2-amino-N-[4-(4-methoxy-3-propan-2-ylphenoxy)-3,5-dimethylphenyl]acetamide
CID 142030863

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl) N-[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenyl]carbamate?
The IUPAC name of (4-methoxyphenyl) N-[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenyl]carbamate (CID 142200774) is (4-methoxyphenyl) N-[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenyl]carbamate.
What is the SMILES notation for (4-methoxyphenyl) N-[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenyl]carbamate?
The canonical SMILES for (4-methoxyphenyl) N-[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenyl]carbamate is COc1ccc(OC(=O)Nc2cc(C)c(Oc3ccc(O)c(C(C)C)c3)c(C)c2)cc1.
What is the InChIKey of (4-methoxyphenyl) N-[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenyl]carbamate?
The InChIKey is MLQIUEWAVCGOOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27NO5/c1-15(2)22-14-21(10-11-23(22)27)30-24-16(3)12-18(13-17(24)4)26-25(28)31-20-8-6-19(29-5)7-9-20/h6-15,27H,1-5H3,(H,26,28).
What are the key properties of (4-methoxyphenyl) N-[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenyl]carbamate?
(4-methoxyphenyl) N-[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenyl]carbamate has a molecular weight of 421.49 g/mol, XLogP of 6.54, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl) N-[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenyl]carbamate is sourced from PubChem (CID 142200774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).