N-[4-[2-[2-(C-ethyl-N-methylcarbonimidoyl)phenoxy]ethyl]phenyl]-2,2-dimethylpropanamide

C23H30N2O2 — CID 123625762

IUPACN-[4-[2-[2-(C-ethyl-N-methylcarbonimidoyl)phenoxy]ethyl]phenyl]-2,2-dimethylpropanamide
SMILESCC/C(=N\C)c1ccccc1OCCc1ccc(NC(=O)C(C)(C)C)cc1
InChIInChI=1S/C23H30N2O2/c1-6-20(24-5)19-9-7-8-10-21(19)27-16-15-17-11-13-18(14-12-17)25-22(26)23(2,3)4/h7-14H,6,15-16H2,1-5H3,(H,25,26)/b24-20+
InChIKeyXFBONFSSNVTKIZ-HIXSDJFHSA-N
MW366.51 g/mol
LogP5.12
Rot. Bonds7

About N-[4-[2-[2-(C-ethyl-N-methylcarbonimidoyl)phenoxy]ethyl]phenyl]-2,2-dimethylpropanamide

N-[4-[2-[2-(C-ethyl-N-methylcarbonimidoyl)phenoxy]ethyl]phenyl]-2,2-dimethylpropanamide (PubChem CID 123625762) has the molecular formula C23H30N2O2 and a molecular weight of 366.51 g/mol. Its IUPAC name is N-[4-[2-[2-(C-ethyl-N-methylcarbonimidoyl)phenoxy]ethyl]phenyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[4-[2-[2-(C-ethyl-N-methylcarbonimidoyl)phenoxy]ethyl]phenyl]-2,2-dimethylpropanamide
PubChem CID123625762
Molecular FormulaC23H30N2O2
Molecular Weight366.51 g/mol
Exact Mass366.23
IUPAC NameN-[4-[2-[2-(C-ethyl-N-methylcarbonimidoyl)phenoxy]ethyl]phenyl]-2,2-dimethylpropanamide
SMILESCC/C(=N\C)c1ccccc1OCCc1ccc(NC(=O)C(C)(C)C)cc1
InChIInChI=1S/C23H30N2O2/c1-6-20(24-5)19-9-7-8-10-21(19)27-16-15-17-11-13-18(14-12-17)25-22(26)23(2,3)4/h7-14H,6,15-16H2,1-5H3,(H,25,26)/b24-20+
InChIKeyXFBONFSSNVTKIZ-HIXSDJFHSA-N
XLogP5.12
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.51
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

5-bromo-N-[3-(2,2-dimethylpropanoylamino)phenyl]-2-(2-phenylethoxy)benzamide
CID 17204640
N-(4-butoxyphenyl)-2-(2-phenylethoxy)benzamide
CID 19628186
N-(4-butylphenyl)-2,2-dimethylpropanamide
CID 4601922
2-butoxy-N-[4-[[4-[(2-butoxybenzoyl)amino]phenyl]methyl]phenyl]benzamide
CID 4941899
N-[[4-(diethylamino)phenyl]carbamothioyl]-2-(2-phenylethoxy)benzamide
CID 19628362
2-(3-methylbutoxy)-N-[4-(2-phenylethoxy)phenyl]benzamide
CID 17067004
N-[4-[(4-fluorophenyl)methylamino]phenyl]-2,2-dimethylpropanamide
CID 112982446
N-[4-[[4-[[4-(2,2-dimethylpropanoylamino)anilino]methyl]phenyl]methylamino]phenyl]-2,2-dimethylpropanamide
CID 155301754
2,2-dimethyl-N-[4-(sulfanylmethyl)phenyl]propanamide
CID 176900093
(NE)-N-[1-[2-(2-pyridin-2-ylethoxy)phenyl]propylidene]hydroxylamine
CID 60893000
2-ethoxy-N-[4-[(2-ethoxybenzoyl)amino]phenyl]benzamide
CID 1011206
2,2-dimethyl-N-[4-[(2-methylhydrazinyl)methyl]phenyl]propanamide
CID 159222275

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[2-(C-ethyl-N-methylcarbonimidoyl)phenoxy]ethyl]phenyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[4-[2-[2-(C-ethyl-N-methylcarbonimidoyl)phenoxy]ethyl]phenyl]-2,2-dimethylpropanamide (CID 123625762) is N-[4-[2-[2-(C-ethyl-N-methylcarbonimidoyl)phenoxy]ethyl]phenyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[4-[2-[2-(C-ethyl-N-methylcarbonimidoyl)phenoxy]ethyl]phenyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[4-[2-[2-(C-ethyl-N-methylcarbonimidoyl)phenoxy]ethyl]phenyl]-2,2-dimethylpropanamide is CC/C(=N\C)c1ccccc1OCCc1ccc(NC(=O)C(C)(C)C)cc1.
What is the InChIKey of N-[4-[2-[2-(C-ethyl-N-methylcarbonimidoyl)phenoxy]ethyl]phenyl]-2,2-dimethylpropanamide?
The InChIKey is XFBONFSSNVTKIZ-HIXSDJFHSA-N. The full InChI is InChI=1S/C23H30N2O2/c1-6-20(24-5)19-9-7-8-10-21(19)27-16-15-17-11-13-18(14-12-17)25-22(26)23(2,3)4/h7-14H,6,15-16H2,1-5H3,(H,25,26)/b24-20+.
What are the key properties of N-[4-[2-[2-(C-ethyl-N-methylcarbonimidoyl)phenoxy]ethyl]phenyl]-2,2-dimethylpropanamide?
N-[4-[2-[2-(C-ethyl-N-methylcarbonimidoyl)phenoxy]ethyl]phenyl]-2,2-dimethylpropanamide has a molecular weight of 366.51 g/mol, XLogP of 5.12, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[2-(C-ethyl-N-methylcarbonimidoyl)phenoxy]ethyl]phenyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 123625762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).