N-[4-[benzyl(ethyl)amino]phenyl]-4-methoxybenzamide

C23H24N2O2 — CID 112982849

IUPACN-[4-[benzyl(ethyl)amino]phenyl]-4-methoxybenzamide
SMILESCCN(Cc1ccccc1)c1ccc(NC(=O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C23H24N2O2/c1-3-25(17-18-7-5-4-6-8-18)21-13-11-20(12-14-21)24-23(26)19-9-15-22(27-2)16-10-19/h4-16H,3,17H2,1-2H3,(H,24,26)
InChIKeyFKKDIWOQJDAQGO-UHFFFAOYSA-N
MW360.46 g/mol
LogP4.97
Rot. Bonds7

About N-[4-[benzyl(ethyl)amino]phenyl]-4-methoxybenzamide

N-[4-[benzyl(ethyl)amino]phenyl]-4-methoxybenzamide (PubChem CID 112982849) has the molecular formula C23H24N2O2 and a molecular weight of 360.46 g/mol. Its IUPAC name is N-[4-[benzyl(ethyl)amino]phenyl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[4-[benzyl(ethyl)amino]phenyl]-4-methoxybenzamide
PubChem CID112982849
Molecular FormulaC23H24N2O2
Molecular Weight360.46 g/mol
Exact Mass360.18
IUPAC NameN-[4-[benzyl(ethyl)amino]phenyl]-4-methoxybenzamide
SMILESCCN(Cc1ccccc1)c1ccc(NC(=O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C23H24N2O2/c1-3-25(17-18-7-5-4-6-8-18)21-13-11-20(12-14-21)24-23(26)19-9-15-22(27-2)16-10-19/h4-16H,3,17H2,1-2H3,(H,24,26)
InChIKeyFKKDIWOQJDAQGO-UHFFFAOYSA-N
XLogP4.97
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 54.97
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

4-(diethylamino)-N-(4-methoxyphenyl)benzamide
CID 23965088
N-[4-(diethylamino)phenyl]-4-phenoxybenzamide
CID 7900350
methyl N-[4-[benzyl(ethyl)amino]phenyl]carbamate
CID 112982866
1-[4-[benzyl(ethyl)amino]phenyl]-3-phenylurea
CID 112982864
O-[4-[(4-methoxyphenyl)carbamoyl]phenyl] N-benzyl-N-propylcarbamothioate
CID 3100434
4-methoxy-N-[4-(2-phenylethylamino)phenyl]benzamide
CID 112983237
N-[4-[[(4-methoxybenzoyl)amino]carbamoyl]phenyl]benzamide
CID 1246678
4-(dimethylamino)-N-(4-methoxyphenyl)benzamide
CID 867710
N-[4-(diethylamino)phenyl]-4-(2-methoxyethoxy)benzamide
CID 15943191
2-[benzyl(ethyl)amino]-N-(4-ethoxyphenyl)pyrimidine-5-carboxamide
CID 109258493
N-[6-[benzyl(ethyl)amino]-3-pyridinyl]-3,5-dimethoxybenzamide
CID 113012586
1-[4-(diethylamino)phenyl]-3-(4-methoxyphenyl)urea
CID 108866363

Frequently Asked Questions

What is the IUPAC name of N-[4-[benzyl(ethyl)amino]phenyl]-4-methoxybenzamide?
The IUPAC name of N-[4-[benzyl(ethyl)amino]phenyl]-4-methoxybenzamide (CID 112982849) is N-[4-[benzyl(ethyl)amino]phenyl]-4-methoxybenzamide.
What is the SMILES notation for N-[4-[benzyl(ethyl)amino]phenyl]-4-methoxybenzamide?
The canonical SMILES for N-[4-[benzyl(ethyl)amino]phenyl]-4-methoxybenzamide is CCN(Cc1ccccc1)c1ccc(NC(=O)c2ccc(OC)cc2)cc1.
What is the InChIKey of N-[4-[benzyl(ethyl)amino]phenyl]-4-methoxybenzamide?
The InChIKey is FKKDIWOQJDAQGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O2/c1-3-25(17-18-7-5-4-6-8-18)21-13-11-20(12-14-21)24-23(26)19-9-15-22(27-2)16-10-19/h4-16H,3,17H2,1-2H3,(H,24,26).
What are the key properties of N-[4-[benzyl(ethyl)amino]phenyl]-4-methoxybenzamide?
N-[4-[benzyl(ethyl)amino]phenyl]-4-methoxybenzamide has a molecular weight of 360.46 g/mol, XLogP of 4.97, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[benzyl(ethyl)amino]phenyl]-4-methoxybenzamide is sourced from PubChem (CID 112982849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).