ethyl N-[10-[3-(dimethylamino)propanoyl]phenothiazin-2-yl]carbamate

C20H23N3O3S — CID 662074

IUPACethyl N-[10-[3-(dimethylamino)propanoyl]phenothiazin-2-yl]carbamate
SMILESCCOC(=O)Nc1ccc2c(c1)N(C(=O)CCN(C)C)c1ccccc1S2
InChIInChI=1S/C20H23N3O3S/c1-4-26-20(25)21-14-9-10-18-16(13-14)23(19(24)11-12-22(2)3)15-7-5-6-8-17(15)27-18/h5-10,13H,4,11-12H2,1-3H3,(H,21,25)
InChIKeyLVZYLABPFZAZDY-UHFFFAOYSA-N
MW385.49 g/mol
LogP4.34
Rot. Bonds5

About ethyl N-[10-[3-(dimethylamino)propanoyl]phenothiazin-2-yl]carbamate

ethyl N-[10-[3-(dimethylamino)propanoyl]phenothiazin-2-yl]carbamate (PubChem CID 662074) has the molecular formula C20H23N3O3S and a molecular weight of 385.49 g/mol. Its IUPAC name is ethyl N-[10-[3-(dimethylamino)propanoyl]phenothiazin-2-yl]carbamate.

Molecular Properties

Compound Nameethyl N-[10-[3-(dimethylamino)propanoyl]phenothiazin-2-yl]carbamate
PubChem CID662074
Molecular FormulaC20H23N3O3S
Molecular Weight385.49 g/mol
Exact Mass385.15
IUPAC Nameethyl N-[10-[3-(dimethylamino)propanoyl]phenothiazin-2-yl]carbamate
SMILESCCOC(=O)Nc1ccc2c(c1)N(C(=O)CCN(C)C)c1ccccc1S2
InChIInChI=1S/C20H23N3O3S/c1-4-26-20(25)21-14-9-10-18-16(13-14)23(19(24)11-12-22(2)3)15-7-5-6-8-17(15)27-18/h5-10,13H,4,11-12H2,1-3H3,(H,21,25)
InChIKeyLVZYLABPFZAZDY-UHFFFAOYSA-N
XLogP4.34
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.49
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl N-[10-[3-(dimethylamino)propanoyl]phenothiazin-2-yl]carbamate?
The IUPAC name of ethyl N-[10-[3-(dimethylamino)propanoyl]phenothiazin-2-yl]carbamate (CID 662074) is ethyl N-[10-[3-(dimethylamino)propanoyl]phenothiazin-2-yl]carbamate.
What is the SMILES notation for ethyl N-[10-[3-(dimethylamino)propanoyl]phenothiazin-2-yl]carbamate?
The canonical SMILES for ethyl N-[10-[3-(dimethylamino)propanoyl]phenothiazin-2-yl]carbamate is CCOC(=O)Nc1ccc2c(c1)N(C(=O)CCN(C)C)c1ccccc1S2.
What is the InChIKey of ethyl N-[10-[3-(dimethylamino)propanoyl]phenothiazin-2-yl]carbamate?
The InChIKey is LVZYLABPFZAZDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3S/c1-4-26-20(25)21-14-9-10-18-16(13-14)23(19(24)11-12-22(2)3)15-7-5-6-8-17(15)27-18/h5-10,13H,4,11-12H2,1-3H3,(H,21,25).
What are the key properties of ethyl N-[10-[3-(dimethylamino)propanoyl]phenothiazin-2-yl]carbamate?
ethyl N-[10-[3-(dimethylamino)propanoyl]phenothiazin-2-yl]carbamate has a molecular weight of 385.49 g/mol, XLogP of 4.34, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[10-[3-(dimethylamino)propanoyl]phenothiazin-2-yl]carbamate is sourced from PubChem (CID 662074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).