N-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-3-phenylpropanamide

C20H25NO2 — CID 110441563

IUPACN-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-3-phenylpropanamide
SMILESCC(C)(C)Oc1ccccc1CNC(=O)CCc1ccccc1
InChIInChI=1S/C20H25NO2/c1-20(2,3)23-18-12-8-7-11-17(18)15-21-19(22)14-13-16-9-5-4-6-10-16/h4-12H,13-15H2,1-3H3,(H,21,22)
InChIKeyNMLLBKUZRILEIX-UHFFFAOYSA-N
MW311.42 g/mol
LogP4.11
Rot. Bonds6

About N-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-3-phenylpropanamide

N-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-3-phenylpropanamide (PubChem CID 110441563) has the molecular formula C20H25NO2 and a molecular weight of 311.42 g/mol. Its IUPAC name is N-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-3-phenylpropanamide
PubChem CID110441563
Molecular FormulaC20H25NO2
Molecular Weight311.42 g/mol
Exact Mass311.19
IUPAC NameN-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-3-phenylpropanamide
SMILESCC(C)(C)Oc1ccccc1CNC(=O)CCc1ccccc1
InChIInChI=1S/C20H25NO2/c1-20(2,3)23-18-12-8-7-11-17(18)15-21-19(22)14-13-16-9-5-4-6-10-16/h4-12H,13-15H2,1-3H3,(H,21,22)
InChIKeyNMLLBKUZRILEIX-UHFFFAOYSA-N
XLogP4.11
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.42
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-2-phenylacetamide
CID 110442352
2,2-dimethyl-N-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]propanamide
CID 110444704
N-[(2-methoxyphenyl)methyl]-3-pyridin-4-ylpropanamide
CID 110468458
[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 3-phenylpropanoate
CID 7958312
N-[(2-ethoxyphenyl)methyl]-3-(3-methylphenyl)propanamide
CID 60565788
3-(4-sulfamoylphenyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]propanamide
CID 34554888
3-(3,4-dimethoxyphenyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]propanamide
CID 34322367
ethyl N-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]carbamate
CID 110445074
3-phenyl-N-[(2,3,4-trimethoxyphenyl)methyl]propanamide
CID 46587581
3-[4-(tert-butylsulfamoyl)phenyl]-N-[(2-methoxyphenyl)methyl]propanamide
CID 2206104
1-(2-hydroxy-2,3-dimethylbutyl)-3-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]urea
CID 111508975
tert-butyl N-[3-oxo-3-[[2-(trifluoromethoxy)phenyl]methylamino]propyl]carbamate
CID 34555299

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-3-phenylpropanamide?
The IUPAC name of N-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-3-phenylpropanamide (CID 110441563) is N-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-3-phenylpropanamide.
What is the SMILES notation for N-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-3-phenylpropanamide?
The canonical SMILES for N-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-3-phenylpropanamide is CC(C)(C)Oc1ccccc1CNC(=O)CCc1ccccc1.
What is the InChIKey of N-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-3-phenylpropanamide?
The InChIKey is NMLLBKUZRILEIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO2/c1-20(2,3)23-18-12-8-7-11-17(18)15-21-19(22)14-13-16-9-5-4-6-10-16/h4-12H,13-15H2,1-3H3,(H,21,22).
What are the key properties of N-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-3-phenylpropanamide?
N-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-3-phenylpropanamide has a molecular weight of 311.42 g/mol, XLogP of 4.11, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-3-phenylpropanamide is sourced from PubChem (CID 110441563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).