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

C20H24ClN3O3S — CID 6602784

IUPACethyl N-[10-[3-(dimethylamino)propanoyl]phenothiazin-2-yl]carbamate;hydrochloride
SMILESCCOC(=O)Nc1ccc2c(c1)N(C(=O)CCN(C)C)c1ccccc1S2.Cl
InChIInChI=1S/C20H23N3O3S.ClH/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);1H
InChIKeyBQKFRCBBILESPA-UHFFFAOYSA-N
MW421.95 g/mol
LogP4.76
Rot. Bonds5

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

ethyl N-[10-[3-(dimethylamino)propanoyl]phenothiazin-2-yl]carbamate;hydrochloride (PubChem CID 6602784) has the molecular formula C20H24ClN3O3S and a molecular weight of 421.95 g/mol. Its IUPAC name is ethyl N-[10-[3-(dimethylamino)propanoyl]phenothiazin-2-yl]carbamate;hydrochloride.

Molecular Properties

Compound Nameethyl N-[10-[3-(dimethylamino)propanoyl]phenothiazin-2-yl]carbamate;hydrochloride
PubChem CID6602784
Molecular FormulaC20H24ClN3O3S
Molecular Weight421.95 g/mol
Exact Mass421.12
IUPAC Nameethyl N-[10-[3-(dimethylamino)propanoyl]phenothiazin-2-yl]carbamate;hydrochloride
SMILESCCOC(=O)Nc1ccc2c(c1)N(C(=O)CCN(C)C)c1ccccc1S2.Cl
InChIInChI=1S/C20H23N3O3S.ClH/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);1H
InChIKeyBQKFRCBBILESPA-UHFFFAOYSA-N
XLogP4.76
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.95
LogP ≤ 54.76
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;hydrochloride?
The IUPAC name of ethyl N-[10-[3-(dimethylamino)propanoyl]phenothiazin-2-yl]carbamate;hydrochloride (CID 6602784) is ethyl N-[10-[3-(dimethylamino)propanoyl]phenothiazin-2-yl]carbamate;hydrochloride.
What is the SMILES notation for ethyl N-[10-[3-(dimethylamino)propanoyl]phenothiazin-2-yl]carbamate;hydrochloride?
The canonical SMILES for ethyl N-[10-[3-(dimethylamino)propanoyl]phenothiazin-2-yl]carbamate;hydrochloride is CCOC(=O)Nc1ccc2c(c1)N(C(=O)CCN(C)C)c1ccccc1S2.Cl.
What is the InChIKey of ethyl N-[10-[3-(dimethylamino)propanoyl]phenothiazin-2-yl]carbamate;hydrochloride?
The InChIKey is BQKFRCBBILESPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3S.ClH/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);1H.
What are the key properties of ethyl N-[10-[3-(dimethylamino)propanoyl]phenothiazin-2-yl]carbamate;hydrochloride?
ethyl N-[10-[3-(dimethylamino)propanoyl]phenothiazin-2-yl]carbamate;hydrochloride has a molecular weight of 421.95 g/mol, XLogP of 4.76, 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;hydrochloride is sourced from PubChem (CID 6602784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).