N-[(3-methoxy-4-propoxyphenyl)methyl]phenothiazine-10-carboxamide

C24H24N2O3S — CID 54776641

IUPACN-[(3-methoxy-4-propoxyphenyl)methyl]phenothiazine-10-carboxamide
SMILESCCCOc1ccc(CNC(=O)N2c3ccccc3Sc3ccccc32)cc1OC
InChIInChI=1S/C24H24N2O3S/c1-3-14-29-20-13-12-17(15-21(20)28-2)16-25-24(27)26-18-8-4-6-10-22(18)30-23-11-7-5-9-19(23)26/h4-13,15H,3,14,16H2,1-2H3,(H,25,27)
InChIKeyFKLHCRBPLDOGSU-UHFFFAOYSA-N
MW420.53 g/mol
LogP6.00
Rot. Bonds6

About N-[(3-methoxy-4-propoxyphenyl)methyl]phenothiazine-10-carboxamide

N-[(3-methoxy-4-propoxyphenyl)methyl]phenothiazine-10-carboxamide (PubChem CID 54776641) has the molecular formula C24H24N2O3S and a molecular weight of 420.53 g/mol. Its IUPAC name is N-[(3-methoxy-4-propoxyphenyl)methyl]phenothiazine-10-carboxamide.

Molecular Properties

Compound NameN-[(3-methoxy-4-propoxyphenyl)methyl]phenothiazine-10-carboxamide
PubChem CID54776641
Molecular FormulaC24H24N2O3S
Molecular Weight420.53 g/mol
Exact Mass420.15
IUPAC NameN-[(3-methoxy-4-propoxyphenyl)methyl]phenothiazine-10-carboxamide
SMILESCCCOc1ccc(CNC(=O)N2c3ccccc3Sc3ccccc32)cc1OC
InChIInChI=1S/C24H24N2O3S/c1-3-14-29-20-13-12-17(15-21(20)28-2)16-25-24(27)26-18-8-4-6-10-22(18)30-23-11-7-5-9-19(23)26/h4-13,15H,3,14,16H2,1-2H3,(H,25,27)
InChIKeyFKLHCRBPLDOGSU-UHFFFAOYSA-N
XLogP6.00
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.53
LogP ≤ 56.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-methoxy-4-propoxyphenyl)methyl]-2,6-dimethylmorpholine-4-carboxamide
CID 86979197
1-N,4-N-bis[(3-methoxy-4-propoxyphenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 54777189
tert-butyl N-[(3-methoxy-4-propoxyphenyl)methyl]carbamate
CID 54777005
N-[(3-methoxy-4-propoxyphenyl)methyl]-2-phenoxybutanamide
CID 54776981
1-benzyl-3-[(3-methoxy-4-propoxyphenyl)methyl]-2-methylguanidine
CID 110952136
methyl 4-[(3-methoxy-4-propoxyphenyl)methylcarbamoyl]benzoate
CID 46409549
N-[(3-methoxy-4-propoxyphenyl)methyl]-4-propoxybenzamide
CID 54777018
2-[(3-methoxy-4-propoxyphenyl)methylamino]propanoic acid
CID 57411910
N-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]-3-propoxybenzamide
CID 54776757
2-[(3-methoxy-4-propoxyphenyl)methylamino]propanoic acid;hydrochloride
CID 163331555
N-[2-[(3-methoxy-4-propoxyphenyl)methylamino]ethyl]acetamide
CID 82364748
N-[(4-butoxy-3-methoxyphenyl)methyl]-2-hydroxybenzamide
CID 39971450

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxy-4-propoxyphenyl)methyl]phenothiazine-10-carboxamide?
The IUPAC name of N-[(3-methoxy-4-propoxyphenyl)methyl]phenothiazine-10-carboxamide (CID 54776641) is N-[(3-methoxy-4-propoxyphenyl)methyl]phenothiazine-10-carboxamide.
What is the SMILES notation for N-[(3-methoxy-4-propoxyphenyl)methyl]phenothiazine-10-carboxamide?
The canonical SMILES for N-[(3-methoxy-4-propoxyphenyl)methyl]phenothiazine-10-carboxamide is CCCOc1ccc(CNC(=O)N2c3ccccc3Sc3ccccc32)cc1OC.
What is the InChIKey of N-[(3-methoxy-4-propoxyphenyl)methyl]phenothiazine-10-carboxamide?
The InChIKey is FKLHCRBPLDOGSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O3S/c1-3-14-29-20-13-12-17(15-21(20)28-2)16-25-24(27)26-18-8-4-6-10-22(18)30-23-11-7-5-9-19(23)26/h4-13,15H,3,14,16H2,1-2H3,(H,25,27).
What are the key properties of N-[(3-methoxy-4-propoxyphenyl)methyl]phenothiazine-10-carboxamide?
N-[(3-methoxy-4-propoxyphenyl)methyl]phenothiazine-10-carboxamide has a molecular weight of 420.53 g/mol, XLogP of 6.00, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxy-4-propoxyphenyl)methyl]phenothiazine-10-carboxamide is sourced from PubChem (CID 54776641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).