N-[[3-(2-methoxyethoxy)phenyl]methyl]-3-phenothiazin-10-ylpropanamide

C25H26N2O3S — CID 55804446

IUPACN-[[3-(2-methoxyethoxy)phenyl]methyl]-3-phenothiazin-10-ylpropanamide
SMILESCOCCOc1cccc(CNC(=O)CCN2c3ccccc3Sc3ccccc32)c1
InChIInChI=1S/C25H26N2O3S/c1-29-15-16-30-20-8-6-7-19(17-20)18-26-25(28)13-14-27-21-9-2-4-11-23(21)31-24-12-5-3-10-22(24)27/h2-12,17H,13-16,18H2,1H3,(H,26,28)
InChIKeyUNADQBFRWBFBCV-UHFFFAOYSA-N
MW434.56 g/mol
LogP5.02
Rot. Bonds9

About N-[[3-(2-methoxyethoxy)phenyl]methyl]-3-phenothiazin-10-ylpropanamide

N-[[3-(2-methoxyethoxy)phenyl]methyl]-3-phenothiazin-10-ylpropanamide (PubChem CID 55804446) has the molecular formula C25H26N2O3S and a molecular weight of 434.56 g/mol. Its IUPAC name is N-[[3-(2-methoxyethoxy)phenyl]methyl]-3-phenothiazin-10-ylpropanamide.

Molecular Properties

Compound NameN-[[3-(2-methoxyethoxy)phenyl]methyl]-3-phenothiazin-10-ylpropanamide
PubChem CID55804446
Molecular FormulaC25H26N2O3S
Molecular Weight434.56 g/mol
Exact Mass434.17
IUPAC NameN-[[3-(2-methoxyethoxy)phenyl]methyl]-3-phenothiazin-10-ylpropanamide
SMILESCOCCOc1cccc(CNC(=O)CCN2c3ccccc3Sc3ccccc32)c1
InChIInChI=1S/C25H26N2O3S/c1-29-15-16-30-20-8-6-7-19(17-20)18-26-25(28)13-14-27-21-9-2-4-11-23(21)31-24-12-5-3-10-22(24)27/h2-12,17H,13-16,18H2,1H3,(H,26,28)
InChIKeyUNADQBFRWBFBCV-UHFFFAOYSA-N
XLogP5.02
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.56
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_thio_666_A(13)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-amino-N-[[3-(2-methoxyethoxy)phenyl]methyl]propanamide;hydrochloride
CID 119289322
2-(4-aminophenyl)-N-[[3-(2-methoxyethoxy)phenyl]methyl]acetamide;hydrochloride
CID 119723299
3-[(2-chlorophenyl)sulfonylamino]-N-[[3-(2-methoxyethoxy)phenyl]methyl]propanamide
CID 55858772
2-[(2-chlorophenyl)methoxy]-N-[[3-(2-methoxyethoxy)phenyl]methyl]acetamide
CID 55801251
N-[2-[[3-(2-methoxyethoxy)phenyl]methylamino]-2-oxoethyl]-3,3-dimethylbutanamide
CID 86829840
N-[(3-methoxyphenyl)methyl]-3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanamide
CID 46650923
N-[[3-(2-methoxyethoxy)phenyl]methyl]-4-pyrrol-1-ylbenzamide
CID 55801473
N-[[3-(2-methoxyethoxy)phenyl]methyl]-2-(4-nitrophenyl)acetamide
CID 87005469
2-[(4-chlorophenyl)methyl-methylamino]-N-[[3-(2-methoxyethoxy)phenyl]methyl]acetamide
CID 87013294
N-[2-(ethylamino)ethyl]-3-phenothiazin-10-ylpropanamide;hydrochloride
CID 119505196
2-benzyl-N-[[3-(2-methoxyethoxy)phenyl]methyl]benzamide
CID 55801218
N'-(2-cyanoethyl)-N-[[3-(2-methoxyethoxy)phenyl]methyl]-N'-phenylbutanediamide
CID 56577667

Frequently Asked Questions

What is the IUPAC name of N-[[3-(2-methoxyethoxy)phenyl]methyl]-3-phenothiazin-10-ylpropanamide?
The IUPAC name of N-[[3-(2-methoxyethoxy)phenyl]methyl]-3-phenothiazin-10-ylpropanamide (CID 55804446) is N-[[3-(2-methoxyethoxy)phenyl]methyl]-3-phenothiazin-10-ylpropanamide.
What is the SMILES notation for N-[[3-(2-methoxyethoxy)phenyl]methyl]-3-phenothiazin-10-ylpropanamide?
The canonical SMILES for N-[[3-(2-methoxyethoxy)phenyl]methyl]-3-phenothiazin-10-ylpropanamide is COCCOc1cccc(CNC(=O)CCN2c3ccccc3Sc3ccccc32)c1.
What is the InChIKey of N-[[3-(2-methoxyethoxy)phenyl]methyl]-3-phenothiazin-10-ylpropanamide?
The InChIKey is UNADQBFRWBFBCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O3S/c1-29-15-16-30-20-8-6-7-19(17-20)18-26-25(28)13-14-27-21-9-2-4-11-23(21)31-24-12-5-3-10-22(24)27/h2-12,17H,13-16,18H2,1H3,(H,26,28).
What are the key properties of N-[[3-(2-methoxyethoxy)phenyl]methyl]-3-phenothiazin-10-ylpropanamide?
N-[[3-(2-methoxyethoxy)phenyl]methyl]-3-phenothiazin-10-ylpropanamide has a molecular weight of 434.56 g/mol, XLogP of 5.02, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2-methoxyethoxy)phenyl]methyl]-3-phenothiazin-10-ylpropanamide is sourced from PubChem (CID 55804446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).