N-[4-[hydroxy(propan-2-yloxy)methyl]-3-propan-2-yloxyphenyl]-2-[4-methoxy-2-(trifluoromethyl)phenyl]acetamide

C23H28F3NO5 — CID 126690445

IUPACN-[4-[hydroxy(propan-2-yloxy)methyl]-3-propan-2-yloxyphenyl]-2-[4-methoxy-2-(trifluoromethyl)phenyl]acetamide
SMILESCOc1ccc(CC(=O)Nc2ccc(C(O)OC(C)C)c(OC(C)C)c2)c(C(F)(F)F)c1
InChIInChI=1S/C23H28F3NO5/c1-13(2)31-20-11-16(7-9-18(20)22(29)32-14(3)4)27-21(28)10-15-6-8-17(30-5)12-19(15)23(24,25)26/h6-9,11-14,22,29H,10H2,1-5H3,(H,27,28)
InChIKeyVDKSEYPIKITNGN-UHFFFAOYSA-N
MW455.47 g/mol
LogP5.10
Rot. Bonds9

About N-[4-[hydroxy(propan-2-yloxy)methyl]-3-propan-2-yloxyphenyl]-2-[4-methoxy-2-(trifluoromethyl)phenyl]acetamide

N-[4-[hydroxy(propan-2-yloxy)methyl]-3-propan-2-yloxyphenyl]-2-[4-methoxy-2-(trifluoromethyl)phenyl]acetamide (PubChem CID 126690445) has the molecular formula C23H28F3NO5 and a molecular weight of 455.47 g/mol. Its IUPAC name is N-[4-[hydroxy(propan-2-yloxy)methyl]-3-propan-2-yloxyphenyl]-2-[4-methoxy-2-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[hydroxy(propan-2-yloxy)methyl]-3-propan-2-yloxyphenyl]-2-[4-methoxy-2-(trifluoromethyl)phenyl]acetamide
PubChem CID126690445
Molecular FormulaC23H28F3NO5
Molecular Weight455.47 g/mol
Exact Mass455.19
IUPAC NameN-[4-[hydroxy(propan-2-yloxy)methyl]-3-propan-2-yloxyphenyl]-2-[4-methoxy-2-(trifluoromethyl)phenyl]acetamide
SMILESCOc1ccc(CC(=O)Nc2ccc(C(O)OC(C)C)c(OC(C)C)c2)c(C(F)(F)F)c1
InChIInChI=1S/C23H28F3NO5/c1-13(2)31-20-11-16(7-9-18(20)22(29)32-14(3)4)27-21(28)10-15-6-8-17(30-5)12-19(15)23(24,25)26/h6-9,11-14,22,29H,10H2,1-5H3,(H,27,28)
InChIKeyVDKSEYPIKITNGN-UHFFFAOYSA-N
XLogP5.10
TPSA77.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.47
LogP ≤ 55.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze N-[4-[hydroxy(propan-2-yloxy)methyl]-3-propan-2-yloxyphenyl]-2-[4-methoxy-2-(trifluoromethyl)phenyl]acetamide 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

2-methoxy-4-[[2-[4-methoxy-2-(trifluoromethyl)phenyl]acetyl]amino]benzoic acid
CID 71076797
propan-2-yl 4-[[2-[4-methoxy-2-(trifluoromethyl)phenyl]acetyl]amino]benzenecarboperoxoate
CID 89253550
2-[4-methoxy-2-(trifluoromethyl)phenyl]-N-(3-methylphenyl)acetamide
CID 71078628
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(2,5-dimethoxyphenyl)acetamide
CID 92670451
2-[[4-(4-heptoxybenzoyl)oxyphenyl]methyl-[4-[[2-[4-methoxy-2-(trifluoromethyl)phenyl]acetyl]amino]-2-propan-2-yloxybenzoyl]amino]acetic acid
CID 89284933
N-[4-(difluoromethoxy)phenyl]-2-(2,4-dimethoxyphenyl)acetamide
CID 9427797
2-(2,4-dimethoxyphenyl)-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 9404556
4-[[[2-hydroxy-2-[(2-methylpropan-2-yl)oxy]ethyl]-[4-[[2-[4-methoxy-2-(trifluoromethyl)phenyl]acetyl]amino]benzoyl]amino]methyl]benzoic acid
CID 123681704
methyl (2R)-2-amino-2-[4-methoxy-2-(trifluoromethyl)phenyl]acetate;hydrochloride
CID 171227758
(2S)-2-amino-N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]propanamide;hydrochloride
CID 119313991
2-(2,4-dimethoxyphenyl)-N-(4-fluorophenyl)acetamide
CID 9400761
3-amino-N-[[4-propan-2-yloxy-2-(trifluoromethyl)phenyl]methyl]butanamide;hydrochloride
CID 119768894

Frequently Asked Questions

What is the IUPAC name of N-[4-[hydroxy(propan-2-yloxy)methyl]-3-propan-2-yloxyphenyl]-2-[4-methoxy-2-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of N-[4-[hydroxy(propan-2-yloxy)methyl]-3-propan-2-yloxyphenyl]-2-[4-methoxy-2-(trifluoromethyl)phenyl]acetamide (CID 126690445) is N-[4-[hydroxy(propan-2-yloxy)methyl]-3-propan-2-yloxyphenyl]-2-[4-methoxy-2-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for N-[4-[hydroxy(propan-2-yloxy)methyl]-3-propan-2-yloxyphenyl]-2-[4-methoxy-2-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for N-[4-[hydroxy(propan-2-yloxy)methyl]-3-propan-2-yloxyphenyl]-2-[4-methoxy-2-(trifluoromethyl)phenyl]acetamide is COc1ccc(CC(=O)Nc2ccc(C(O)OC(C)C)c(OC(C)C)c2)c(C(F)(F)F)c1.
What is the InChIKey of N-[4-[hydroxy(propan-2-yloxy)methyl]-3-propan-2-yloxyphenyl]-2-[4-methoxy-2-(trifluoromethyl)phenyl]acetamide?
The InChIKey is VDKSEYPIKITNGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28F3NO5/c1-13(2)31-20-11-16(7-9-18(20)22(29)32-14(3)4)27-21(28)10-15-6-8-17(30-5)12-19(15)23(24,25)26/h6-9,11-14,22,29H,10H2,1-5H3,(H,27,28).
What are the key properties of N-[4-[hydroxy(propan-2-yloxy)methyl]-3-propan-2-yloxyphenyl]-2-[4-methoxy-2-(trifluoromethyl)phenyl]acetamide?
N-[4-[hydroxy(propan-2-yloxy)methyl]-3-propan-2-yloxyphenyl]-2-[4-methoxy-2-(trifluoromethyl)phenyl]acetamide has a molecular weight of 455.47 g/mol, XLogP of 5.10, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[hydroxy(propan-2-yloxy)methyl]-3-propan-2-yloxyphenyl]-2-[4-methoxy-2-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 126690445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).