N-[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenyl]morpholine-4-carboxamide

C22H28N2O4 — CID 142200788

IUPACN-[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenyl]morpholine-4-carboxamide
SMILESCc1cc(NC(=O)N2CCOCC2)cc(C)c1Oc1ccc(O)c(C(C)C)c1
InChIInChI=1S/C22H28N2O4/c1-14(2)19-13-18(5-6-20(19)25)28-21-15(3)11-17(12-16(21)4)23-22(26)24-7-9-27-10-8-24/h5-6,11-14,25H,7-10H2,1-4H3,(H,23,26)
InChIKeyDWKAQLLMBDTUQI-UHFFFAOYSA-N
MW384.48 g/mol
LogP4.79
Rot. Bonds4

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

N-[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenyl]morpholine-4-carboxamide (PubChem CID 142200788) has the molecular formula C22H28N2O4 and a molecular weight of 384.48 g/mol. Its IUPAC name is N-[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenyl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenyl]morpholine-4-carboxamide
PubChem CID142200788
Molecular FormulaC22H28N2O4
Molecular Weight384.48 g/mol
Exact Mass384.20
IUPAC NameN-[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenyl]morpholine-4-carboxamide
SMILESCc1cc(NC(=O)N2CCOCC2)cc(C)c1Oc1ccc(O)c(C(C)C)c1
InChIInChI=1S/C22H28N2O4/c1-14(2)19-13-18(5-6-20(19)25)28-21-15(3)11-17(12-16(21)4)23-22(26)24-7-9-27-10-8-24/h5-6,11-14,25H,7-10H2,1-4H3,(H,23,26)
InChIKeyDWKAQLLMBDTUQI-UHFFFAOYSA-N
XLogP4.79
TPSA71.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

formaldehyde;N-[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenyl]acetamide;methanol
CID 143340424
2-acetamido-N-[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenyl]acetamide
CID 142200859
N-[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenyl]-5-oxooxolane-2-carboxamide
CID 142200847
(4-methoxyphenyl) N-[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenyl]carbamate
CID 142200774
4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenol
CID 25150421
N-[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 142200803
4-(2,6-dimethylphenoxy)-2-propan-2-ylphenol
CID 90980737
N-(4-methoxy-3-methylphenyl)morpholine-4-carboxamide
CID 47322511
N-(4-ethoxy-3-methylphenyl)morpholine-4-carboxamide
CID 47410728
N-[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenyl]prop-2-ene-1-sulfinamide
CID 142200717
N-(3,5-dihydroxyphenyl)morpholine-4-carboxamide
CID 108895379
N-[3,5-dibromo-4-(4-hydroxy-3-propan-2-ylphenoxy)phenyl]propanamide
CID 127050521

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenyl]morpholine-4-carboxamide?
The IUPAC name of N-[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenyl]morpholine-4-carboxamide (CID 142200788) is N-[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenyl]morpholine-4-carboxamide.
What is the SMILES notation for N-[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenyl]morpholine-4-carboxamide?
The canonical SMILES for N-[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenyl]morpholine-4-carboxamide is Cc1cc(NC(=O)N2CCOCC2)cc(C)c1Oc1ccc(O)c(C(C)C)c1.
What is the InChIKey of N-[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenyl]morpholine-4-carboxamide?
The InChIKey is DWKAQLLMBDTUQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O4/c1-14(2)19-13-18(5-6-20(19)25)28-21-15(3)11-17(12-16(21)4)23-22(26)24-7-9-27-10-8-24/h5-6,11-14,25H,7-10H2,1-4H3,(H,23,26).
What are the key properties of N-[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenyl]morpholine-4-carboxamide?
N-[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenyl]morpholine-4-carboxamide has a molecular weight of 384.48 g/mol, XLogP of 4.79, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenyl]morpholine-4-carboxamide is sourced from PubChem (CID 142200788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).