N-[1-[2-[4-[(5-tert-butyl-2-hydroxyphenyl)methyl]-2-[(4-chloro-3,5-dimethylphenoxy)methyl]morpholin-2-yl]acetyl]piperidin-4-yl]acetamide

About N-[1-[2-[4-[(5-tert-butyl-2-hydroxyphenyl)methyl]-2-[(4-chloro-3,5-dimethylphenoxy)methyl]morpholin-2-yl]acetyl]piperidin-4-yl]acetamide

N-[1-[2-[4-[(5-tert-butyl-2-hydroxyphenyl)methyl]-2-[(4-chloro-3,5-dimethylphenoxy)methyl]morpholin-2-yl]acetyl]piperidin-4-yl]acetamide (PubChem CID 132769639) has the molecular formula C33H46ClN3O5 and a molecular weight of 600.20 g/mol. Its IUPAC name is N-[1-[2-[4-[(5-tert-butyl-2-hydroxyphenyl)methyl]-2-[(4-chloro-3,5-dimethylphenoxy)methyl]morpholin-2-yl]acetyl]piperidin-4-yl]acetamide.

Molecular Properties

Compound Name	N-[1-[2-[4-[(5-tert-butyl-2-hydroxyphenyl)methyl]-2-[(4-chloro-3,5-dimethylphenoxy)methyl]morpholin-2-yl]acetyl]piperidin-4-yl]acetamide
PubChem CID	132769639
Molecular Formula	C33H46ClN3O5
Molecular Weight	600.20 g/mol
Exact Mass	599.31
IUPAC Name	N-[1-[2-[4-[(5-tert-butyl-2-hydroxyphenyl)methyl]-2-[(4-chloro-3,5-dimethylphenoxy)methyl]morpholin-2-yl]acetyl]piperidin-4-yl]acetamide
SMILES	CC(=O)NC1CCN(C(=O)CC2(COc3cc(C)c(Cl)c(C)c3)CN(Cc3cc(C(C)(C)C)ccc3O)CCO2)CC1
InChI	InChI=1S/C33H46ClN3O5/c1-22-15-28(16-23(2)31(22)34)41-21-33(18-30(40)37-11-9-27(10-12-37)35-24(3)38)20-36(13-14-42-33)19-25-17-26(32(4,5)6)7-8-29(25)39/h7-8,15-17,27,39H,9-14,18-21H2,1-6H3,(H,35,38)
InChIKey	UKCDRVWHWQKFAE-UHFFFAOYSA-N
XLogP	5.13
TPSA	91.34 Å²
H-Bond Donors	2
H-Bond Acceptors	6
Rotatable Bonds	8
Heavy Atoms	42
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	600.20
LogP ≤ 5	5.13
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-[4-[(5-tert-butyl-2-hydroxyphenyl)methyl]-2-[(4-chloro-3,5-dimethylphenoxy)methyl]morpholin-2-yl]acetyl]piperidin-4-yl]acetamide?

The IUPAC name of N-[1-[2-[4-[(5-tert-butyl-2-hydroxyphenyl)methyl]-2-[(4-chloro-3,5-dimethylphenoxy)methyl]morpholin-2-yl]acetyl]piperidin-4-yl]acetamide (CID 132769639) is N-[1-[2-[4-[(5-tert-butyl-2-hydroxyphenyl)methyl]-2-[(4-chloro-3,5-dimethylphenoxy)methyl]morpholin-2-yl]acetyl]piperidin-4-yl]acetamide.

What is the SMILES notation for N-[1-[2-[4-[(5-tert-butyl-2-hydroxyphenyl)methyl]-2-[(4-chloro-3,5-dimethylphenoxy)methyl]morpholin-2-yl]acetyl]piperidin-4-yl]acetamide?

The canonical SMILES for N-[1-[2-[4-[(5-tert-butyl-2-hydroxyphenyl)methyl]-2-[(4-chloro-3,5-dimethylphenoxy)methyl]morpholin-2-yl]acetyl]piperidin-4-yl]acetamide is CC(=O)NC1CCN(C(=O)CC2(COc3cc(C)c(Cl)c(C)c3)CN(Cc3cc(C(C)(C)C)ccc3O)CCO2)CC1.

What is the InChIKey of N-[1-[2-[4-[(5-tert-butyl-2-hydroxyphenyl)methyl]-2-[(4-chloro-3,5-dimethylphenoxy)methyl]morpholin-2-yl]acetyl]piperidin-4-yl]acetamide?

The InChIKey is UKCDRVWHWQKFAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H46ClN3O5/c1-22-15-28(16-23(2)31(22)34)41-21-33(18-30(40)37-11-9-27(10-12-37)35-24(3)38)20-36(13-14-42-33)19-25-17-26(32(4,5)6)7-8-29(25)39/h7-8,15-17,27,39H,9-14,18-21H2,1-6H3,(H,35,38).

What are the key properties of N-[1-[2-[4-[(5-tert-butyl-2-hydroxyphenyl)methyl]-2-[(4-chloro-3,5-dimethylphenoxy)methyl]morpholin-2-yl]acetyl]piperidin-4-yl]acetamide?

N-[1-[2-[4-[(5-tert-butyl-2-hydroxyphenyl)methyl]-2-[(4-chloro-3,5-dimethylphenoxy)methyl]morpholin-2-yl]acetyl]piperidin-4-yl]acetamide has a molecular weight of 600.20 g/mol, XLogP of 5.13, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[2-[4-[(5-tert-butyl-2-hydroxyphenyl)methyl]-2-[(4-chloro-3,5-dimethylphenoxy)methyl]morpholin-2-yl]acetyl]piperidin-4-yl]acetamide is sourced from PubChem (CID 132769639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).