N-[4-(dimethylamino)phenyl]-3-phenylmethoxybenzamide

C22H22N2O2 — CID 23733067

IUPACN-[4-(dimethylamino)phenyl]-3-phenylmethoxybenzamide
SMILESCN(C)c1ccc(NC(=O)c2cccc(OCc3ccccc3)c2)cc1
InChIInChI=1S/C22H22N2O2/c1-24(2)20-13-11-19(12-14-20)23-22(25)18-9-6-10-21(15-18)26-16-17-7-4-3-5-8-17/h3-15H,16H2,1-2H3,(H,23,25)
InChIKeyPESOQNITOOVOJM-UHFFFAOYSA-N
MW346.43 g/mol
LogP4.58
Rot. Bonds6

About N-[4-(dimethylamino)phenyl]-3-phenylmethoxybenzamide

N-[4-(dimethylamino)phenyl]-3-phenylmethoxybenzamide (PubChem CID 23733067) has the molecular formula C22H22N2O2 and a molecular weight of 346.43 g/mol. Its IUPAC name is N-[4-(dimethylamino)phenyl]-3-phenylmethoxybenzamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)phenyl]-3-phenylmethoxybenzamide
PubChem CID23733067
Molecular FormulaC22H22N2O2
Molecular Weight346.43 g/mol
Exact Mass346.17
IUPAC NameN-[4-(dimethylamino)phenyl]-3-phenylmethoxybenzamide
SMILESCN(C)c1ccc(NC(=O)c2cccc(OCc3ccccc3)c2)cc1
InChIInChI=1S/C22H22N2O2/c1-24(2)20-13-11-19(12-14-20)23-22(25)18-9-6-10-21(15-18)26-16-17-7-4-3-5-8-17/h3-15H,16H2,1-2H3,(H,23,25)
InChIKeyPESOQNITOOVOJM-UHFFFAOYSA-N
XLogP4.58
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[6-(dimethylamino)-3-pyridinyl]-3-phenylmethoxybenzamide
CID 30271698
N-[4-(2-methylpropoxy)phenyl]-3-phenylmethoxybenzamide
CID 17148534
[3-[(4-phenylmethoxyphenyl)carbamoyl]phenyl] acetate
CID 2995401
3-methoxy-N-(3-phenylmethoxyphenyl)benzamide
CID 135564193
N-[4-[(2R)-butan-2-yl]phenyl]-3-phenylmethoxybenzamide
CID 8778703
3-phenylmethoxy-N-(4-sulfamoylphenyl)benzamide
CID 1163178
N-(3,4-dichlorophenyl)-3-phenylmethoxybenzamide
CID 17148514
N-[4-[(2-methoxyphenyl)carbamoyl]phenyl]-3-phenylmethoxybenzamide
CID 26522423
N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]-3-phenylmethoxybenzamide
CID 7085466
1-[3-[[4-(dimethylamino)phenyl]methoxy]phenyl]ethanone
CID 39205554
N-(2-ethylphenyl)-3-phenylmethoxybenzamide
CID 801132
N,N-dimethyl-3-phenylmethoxybenzamide
CID 8778645

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)phenyl]-3-phenylmethoxybenzamide?
The IUPAC name of N-[4-(dimethylamino)phenyl]-3-phenylmethoxybenzamide (CID 23733067) is N-[4-(dimethylamino)phenyl]-3-phenylmethoxybenzamide.
What is the SMILES notation for N-[4-(dimethylamino)phenyl]-3-phenylmethoxybenzamide?
The canonical SMILES for N-[4-(dimethylamino)phenyl]-3-phenylmethoxybenzamide is CN(C)c1ccc(NC(=O)c2cccc(OCc3ccccc3)c2)cc1.
What is the InChIKey of N-[4-(dimethylamino)phenyl]-3-phenylmethoxybenzamide?
The InChIKey is PESOQNITOOVOJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O2/c1-24(2)20-13-11-19(12-14-20)23-22(25)18-9-6-10-21(15-18)26-16-17-7-4-3-5-8-17/h3-15H,16H2,1-2H3,(H,23,25).
What are the key properties of N-[4-(dimethylamino)phenyl]-3-phenylmethoxybenzamide?
N-[4-(dimethylamino)phenyl]-3-phenylmethoxybenzamide has a molecular weight of 346.43 g/mol, XLogP of 4.58, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)phenyl]-3-phenylmethoxybenzamide is sourced from PubChem (CID 23733067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).