3,7-bis(diethylamino)-N,N-diethylphenoxazine-10-carboxamide

C25H36N4O2 — CID 102485913

IUPAC3,7-bis(diethylamino)-N,N-diethylphenoxazine-10-carboxamide
SMILESCCN(CC)C(=O)N1c2ccc(N(CC)CC)cc2Oc2cc(N(CC)CC)ccc21
InChIInChI=1S/C25H36N4O2/c1-7-26(8-2)19-13-15-21-23(17-19)31-24-18-20(27(9-3)10-4)14-16-22(24)29(21)25(30)28(11-5)12-6/h13-18H,7-12H2,1-6H3
InChIKeyXACDXKYVIXIYRT-UHFFFAOYSA-N
MW424.59 g/mol
LogP6.08
Rot. Bonds8

About 3,7-bis(diethylamino)-N,N-diethylphenoxazine-10-carboxamide

3,7-bis(diethylamino)-N,N-diethylphenoxazine-10-carboxamide (PubChem CID 102485913) has the molecular formula C25H36N4O2 and a molecular weight of 424.59 g/mol. Its IUPAC name is 3,7-bis(diethylamino)-N,N-diethylphenoxazine-10-carboxamide.

Molecular Properties

Compound Name3,7-bis(diethylamino)-N,N-diethylphenoxazine-10-carboxamide
PubChem CID102485913
Molecular FormulaC25H36N4O2
Molecular Weight424.59 g/mol
Exact Mass424.28
IUPAC Name3,7-bis(diethylamino)-N,N-diethylphenoxazine-10-carboxamide
SMILESCCN(CC)C(=O)N1c2ccc(N(CC)CC)cc2Oc2cc(N(CC)CC)ccc21
InChIInChI=1S/C25H36N4O2/c1-7-26(8-2)19-13-15-21-23(17-19)31-24-18-20(27(9-3)10-4)14-16-22(24)29(21)25(30)28(11-5)12-6/h13-18H,7-12H2,1-6H3
InChIKeyXACDXKYVIXIYRT-UHFFFAOYSA-N
XLogP6.08
TPSA39.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.59
LogP ≤ 56.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-(3-Morpholinopropoxy)phenyl)-3-phenylurea
CID 25015710
[4-(3-Methoxyphenyl)piperazin-1-yl]-phenoxazin-10-ylmethanone
CID 137643819
2-Ethyl-N-(3-methoxyphenyl)-3,4-dihydro-2H-1,4-benzoxazine-4-carboxamide
CID 16018053
1-{2-Dimethylamino-6-[3-(4-phenyl-piperazin-1-yl)-propoxy]-phenyl}-3-pentyl-urea
CID 11754350
1-(3,4-Difluorophenyl)-3-(3-(3-morpholinopropoxy)phenyl)urea
CID 25014525
1-(2,4-Difluorophenyl)-3-(3-(3-morpholinopropoxy)phenyl)urea
CID 25014528
1-(4-Fluoro-3-(3-morpholinopropoxy)phenyl)-3-phenylurea
CID 25014778
1-Cyclohexyl-3-(3-(3-morpholinopropoxy)phenyl)urea
CID 25015125
1-(4-Fluoro-3-(3-morpholinopropoxy)phenyl)-3-(4-fluorophenyl)urea
CID 25015204
1-(4-Fluorophenyl)-3-(3-(3-morpholinopropoxy)phenyl)urea
CID 25015711
1-(3-(Dimethylamino)phenyl)-3-(3-(3-morpholinopropoxy)phenyl)urea
CID 45269972
Phenoxazin-10-yl-(4-phenylpiperazin-1-yl)methanone
CID 134275487

Frequently Asked Questions

What is the IUPAC name of 3,7-bis(diethylamino)-N,N-diethylphenoxazine-10-carboxamide?
The IUPAC name of 3,7-bis(diethylamino)-N,N-diethylphenoxazine-10-carboxamide (CID 102485913) is 3,7-bis(diethylamino)-N,N-diethylphenoxazine-10-carboxamide.
What is the SMILES notation for 3,7-bis(diethylamino)-N,N-diethylphenoxazine-10-carboxamide?
The canonical SMILES for 3,7-bis(diethylamino)-N,N-diethylphenoxazine-10-carboxamide is CCN(CC)C(=O)N1c2ccc(N(CC)CC)cc2Oc2cc(N(CC)CC)ccc21.
What is the InChIKey of 3,7-bis(diethylamino)-N,N-diethylphenoxazine-10-carboxamide?
The InChIKey is XACDXKYVIXIYRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36N4O2/c1-7-26(8-2)19-13-15-21-23(17-19)31-24-18-20(27(9-3)10-4)14-16-22(24)29(21)25(30)28(11-5)12-6/h13-18H,7-12H2,1-6H3.
What are the key properties of 3,7-bis(diethylamino)-N,N-diethylphenoxazine-10-carboxamide?
3,7-bis(diethylamino)-N,N-diethylphenoxazine-10-carboxamide has a molecular weight of 424.59 g/mol, XLogP of 6.08, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-bis(diethylamino)-N,N-diethylphenoxazine-10-carboxamide is sourced from PubChem (CID 102485913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).