N-[2-[3-[benzhydryl(methyl)amino]-2-hydroxypropoxy]phenyl]acetamide

C25H28N2O3 — CID 3852636

IUPACN-[2-[3-[benzhydryl(methyl)amino]-2-hydroxypropoxy]phenyl]acetamide
SMILESCC(=O)Nc1ccccc1OCC(O)CN(C)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H28N2O3/c1-19(28)26-23-15-9-10-16-24(23)30-18-22(29)17-27(2)25(20-11-5-3-6-12-20)21-13-7-4-8-14-21/h3-16,22,25,29H,17-18H2,1-2H3,(H,26,28)
InChIKeyYODTUWSDIFVXGR-UHFFFAOYSA-N
MW404.51 g/mol
LogP4.11
Rot. Bonds9

About N-[2-[3-[benzhydryl(methyl)amino]-2-hydroxypropoxy]phenyl]acetamide

N-[2-[3-[benzhydryl(methyl)amino]-2-hydroxypropoxy]phenyl]acetamide (PubChem CID 3852636) has the molecular formula C25H28N2O3 and a molecular weight of 404.51 g/mol. Its IUPAC name is N-[2-[3-[benzhydryl(methyl)amino]-2-hydroxypropoxy]phenyl]acetamide.

Molecular Properties

Compound NameN-[2-[3-[benzhydryl(methyl)amino]-2-hydroxypropoxy]phenyl]acetamide
PubChem CID3852636
Molecular FormulaC25H28N2O3
Molecular Weight404.51 g/mol
Exact Mass404.21
IUPAC NameN-[2-[3-[benzhydryl(methyl)amino]-2-hydroxypropoxy]phenyl]acetamide
SMILESCC(=O)Nc1ccccc1OCC(O)CN(C)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H28N2O3/c1-19(28)26-23-15-9-10-16-24(23)30-18-22(29)17-27(2)25(20-11-5-3-6-12-20)21-13-7-4-8-14-21/h3-16,22,25,29H,17-18H2,1-2H3,(H,26,28)
InChIKeyYODTUWSDIFVXGR-UHFFFAOYSA-N
XLogP4.11
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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N-[2-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]acetamide
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N-[2-[3-(3,4-dihydro-2H-quinolin-1-yl)-2-hydroxypropoxy]phenyl]acetamide
CID 3558526
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CID 54242139
N-[2-[(E)-3-phenylprop-2-enoxy]phenyl]acetamide
CID 13123868
N-[2-[2-hydroxy-3-[4-(2-methylphenyl)piperazin-1-yl]propoxy]phenyl]acetamide
CID 57259350
N-[2-[3-[4-(2-chlorophenyl)piperazin-1-yl]-2-hydroxypropoxy]phenyl]acetamide
CID 3795191
(2R)-1-[[1-[benzhydryl(methyl)amino]-2-methylpropan-2-yl]amino]-3-(2-methoxyphenoxy)propan-2-ol
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CID 9017902

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-[benzhydryl(methyl)amino]-2-hydroxypropoxy]phenyl]acetamide?
The IUPAC name of N-[2-[3-[benzhydryl(methyl)amino]-2-hydroxypropoxy]phenyl]acetamide (CID 3852636) is N-[2-[3-[benzhydryl(methyl)amino]-2-hydroxypropoxy]phenyl]acetamide.
What is the SMILES notation for N-[2-[3-[benzhydryl(methyl)amino]-2-hydroxypropoxy]phenyl]acetamide?
The canonical SMILES for N-[2-[3-[benzhydryl(methyl)amino]-2-hydroxypropoxy]phenyl]acetamide is CC(=O)Nc1ccccc1OCC(O)CN(C)C(c1ccccc1)c1ccccc1.
What is the InChIKey of N-[2-[3-[benzhydryl(methyl)amino]-2-hydroxypropoxy]phenyl]acetamide?
The InChIKey is YODTUWSDIFVXGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O3/c1-19(28)26-23-15-9-10-16-24(23)30-18-22(29)17-27(2)25(20-11-5-3-6-12-20)21-13-7-4-8-14-21/h3-16,22,25,29H,17-18H2,1-2H3,(H,26,28).
What are the key properties of N-[2-[3-[benzhydryl(methyl)amino]-2-hydroxypropoxy]phenyl]acetamide?
N-[2-[3-[benzhydryl(methyl)amino]-2-hydroxypropoxy]phenyl]acetamide has a molecular weight of 404.51 g/mol, XLogP of 4.11, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-[benzhydryl(methyl)amino]-2-hydroxypropoxy]phenyl]acetamide is sourced from PubChem (CID 3852636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).