N-(2-phenylmethoxypropan-2-yl)benzamide

C17H19NO2 — CID 90976564

IUPACN-(2-phenylmethoxypropan-2-yl)benzamide
SMILESCC(C)(NC(=O)c1ccccc1)OCc1ccccc1
InChIInChI=1S/C17H19NO2/c1-17(2,20-13-14-9-5-3-6-10-14)18-16(19)15-11-7-4-8-12-15/h3-12H,13H2,1-2H3,(H,18,19)
InChIKeyOEZSKULKKHZXMR-UHFFFAOYSA-N
MW269.34 g/mol
LogP3.37
Rot. Bonds5

About N-(2-phenylmethoxypropan-2-yl)benzamide

N-(2-phenylmethoxypropan-2-yl)benzamide (PubChem CID 90976564) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is N-(2-phenylmethoxypropan-2-yl)benzamide.

Molecular Properties

Compound NameN-(2-phenylmethoxypropan-2-yl)benzamide
PubChem CID90976564
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC NameN-(2-phenylmethoxypropan-2-yl)benzamide
SMILESCC(C)(NC(=O)c1ccccc1)OCc1ccccc1
InChIInChI=1S/C17H19NO2/c1-17(2,20-13-14-9-5-3-6-10-14)18-16(19)15-11-7-4-8-12-15/h3-12H,13H2,1-2H3,(H,18,19)
InChIKeyOEZSKULKKHZXMR-UHFFFAOYSA-N
XLogP3.37
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-benzamidoethyl Benzoate
CID 5131781
benzyl N-{4-[(methylamino)carbonyl]benzyl}carbamate
CID 1480002
N-(1-methoxy-2,6-dimethyl-4-oxocyclohexa-2,5-dien-1-yl)benzamide
CID 4108775
Benzyl 2-benzoyl-2-tert-butylhydrazinecarboxylate
CID 682784
ethyl 2-(benzyloxy)-3,3,3-trifluoro-N-(phenylcarbonyl)alaninate
CID 2728966
N-(1-ethoxy-2,6-dimethyl-4-oxocyclohexa-2,5-dien-1-yl)benzamide
CID 3239899
Ethyl 4-{[(4-methylbenzyl)amino]methyl}benzoate
CID 5019647
Ethyl 4-[(benzylamino)methyl]benzoate
CID 5053991
N-(4-phenylmethoxybut-2-ynyl)benzamide
CID 5461831
Ethyl 3-benzamido-2-oxo-6-phenyl-2H-pyran-5-carboxylate
CID 2763609
[2-(Tert-butylamino)-2-oxo-1-phenylethyl] benzoate
CID 102255833
Phenyl(2-phenyl-1,3-oxazinan-3-yl)methanone
CID 653321

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylmethoxypropan-2-yl)benzamide?
The IUPAC name of N-(2-phenylmethoxypropan-2-yl)benzamide (CID 90976564) is N-(2-phenylmethoxypropan-2-yl)benzamide.
What is the SMILES notation for N-(2-phenylmethoxypropan-2-yl)benzamide?
The canonical SMILES for N-(2-phenylmethoxypropan-2-yl)benzamide is CC(C)(NC(=O)c1ccccc1)OCc1ccccc1.
What is the InChIKey of N-(2-phenylmethoxypropan-2-yl)benzamide?
The InChIKey is OEZSKULKKHZXMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c1-17(2,20-13-14-9-5-3-6-10-14)18-16(19)15-11-7-4-8-12-15/h3-12H,13H2,1-2H3,(H,18,19).
What are the key properties of N-(2-phenylmethoxypropan-2-yl)benzamide?
N-(2-phenylmethoxypropan-2-yl)benzamide has a molecular weight of 269.34 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylmethoxypropan-2-yl)benzamide is sourced from PubChem (CID 90976564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).