N-(1-hydroxy-1-phenylpropan-2-yl)-N-methyl-2-(2-phenoxyethoxy)benzamide

C25H27NO4 — CID 54856797

IUPACN-(1-hydroxy-1-phenylpropan-2-yl)-N-methyl-2-(2-phenoxyethoxy)benzamide
SMILESCC(C(O)c1ccccc1)N(C)C(=O)c1ccccc1OCCOc1ccccc1
InChIInChI=1S/C25H27NO4/c1-19(24(27)20-11-5-3-6-12-20)26(2)25(28)22-15-9-10-16-23(22)30-18-17-29-21-13-7-4-8-14-21/h3-16,19,24,27H,17-18H2,1-2H3
InChIKeyPJWOTIUERZDHOE-UHFFFAOYSA-N
MW405.49 g/mol
LogP4.34
Rot. Bonds9

About N-(1-hydroxy-1-phenylpropan-2-yl)-N-methyl-2-(2-phenoxyethoxy)benzamide

N-(1-hydroxy-1-phenylpropan-2-yl)-N-methyl-2-(2-phenoxyethoxy)benzamide (PubChem CID 54856797) has the molecular formula C25H27NO4 and a molecular weight of 405.49 g/mol. Its IUPAC name is N-(1-hydroxy-1-phenylpropan-2-yl)-N-methyl-2-(2-phenoxyethoxy)benzamide.

Molecular Properties

Compound NameN-(1-hydroxy-1-phenylpropan-2-yl)-N-methyl-2-(2-phenoxyethoxy)benzamide
PubChem CID54856797
Molecular FormulaC25H27NO4
Molecular Weight405.49 g/mol
Exact Mass405.19
IUPAC NameN-(1-hydroxy-1-phenylpropan-2-yl)-N-methyl-2-(2-phenoxyethoxy)benzamide
SMILESCC(C(O)c1ccccc1)N(C)C(=O)c1ccccc1OCCOc1ccccc1
InChIInChI=1S/C25H27NO4/c1-19(24(27)20-11-5-3-6-12-20)26(2)25(28)22-15-9-10-16-23(22)30-18-17-29-21-13-7-4-8-14-21/h3-16,19,24,27H,17-18H2,1-2H3
InChIKeyPJWOTIUERZDHOE-UHFFFAOYSA-N
XLogP4.34
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.49
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(1-hydroxy-1-phenylpropan-2-yl)-2-methoxy-N-methylbenzamide
CID 54856631
4-(2-ethoxyethoxy)-N-(1-hydroxy-1-phenylpropan-2-yl)-N-methylbenzamide
CID 54856940
5-bromo-2-ethoxy-N-(1-hydroxy-1-phenylpropan-2-yl)-N-methylbenzamide
CID 54856706
N-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylbenzamide;N-[(2R)-1-hydroxy-1-phenylpropan-2-yl]-N-methylbenzamide
CID 158962259
2-[[2-(2-ethoxyethoxy)benzoyl]-methylamino]propanoic acid
CID 119358857
N-(1-hydroxy-1-phenylpropan-2-yl)-N-methyl-3-(2-methylpropoxy)benzamide
CID 54856733
N-[[4-(dimethylamino)phenyl]methyl]-N-methyl-2-(2-phenoxyethoxy)benzamide
CID 35745385
N-(1-hydroxy-1-phenylpropan-2-yl)-N-methyl-2-(4-phenylphenoxy)acetamide
CID 54856794
N-benzyl-N-[2-[benzyl-[2-(2-phenoxyethoxy)benzoyl]amino]ethyl]-2-(2-phenoxyethoxy)benzamide
CID 4954876
N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylpropanamide
CID 11138684
2-(4-phenoxybutoxy)benzoic acid
CID 67413317
(4-butan-2-ylphenyl) 2-(2-phenoxyethoxy)benzoate
CID 23012070

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-1-phenylpropan-2-yl)-N-methyl-2-(2-phenoxyethoxy)benzamide?
The IUPAC name of N-(1-hydroxy-1-phenylpropan-2-yl)-N-methyl-2-(2-phenoxyethoxy)benzamide (CID 54856797) is N-(1-hydroxy-1-phenylpropan-2-yl)-N-methyl-2-(2-phenoxyethoxy)benzamide.
What is the SMILES notation for N-(1-hydroxy-1-phenylpropan-2-yl)-N-methyl-2-(2-phenoxyethoxy)benzamide?
The canonical SMILES for N-(1-hydroxy-1-phenylpropan-2-yl)-N-methyl-2-(2-phenoxyethoxy)benzamide is CC(C(O)c1ccccc1)N(C)C(=O)c1ccccc1OCCOc1ccccc1.
What is the InChIKey of N-(1-hydroxy-1-phenylpropan-2-yl)-N-methyl-2-(2-phenoxyethoxy)benzamide?
The InChIKey is PJWOTIUERZDHOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27NO4/c1-19(24(27)20-11-5-3-6-12-20)26(2)25(28)22-15-9-10-16-23(22)30-18-17-29-21-13-7-4-8-14-21/h3-16,19,24,27H,17-18H2,1-2H3.
What are the key properties of N-(1-hydroxy-1-phenylpropan-2-yl)-N-methyl-2-(2-phenoxyethoxy)benzamide?
N-(1-hydroxy-1-phenylpropan-2-yl)-N-methyl-2-(2-phenoxyethoxy)benzamide has a molecular weight of 405.49 g/mol, XLogP of 4.34, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-1-phenylpropan-2-yl)-N-methyl-2-(2-phenoxyethoxy)benzamide is sourced from PubChem (CID 54856797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).