N,N-diethyl-10-[3-[propyl(thiophen-2-ylmethyl)amino]propyl]phenoxazine-3-carboxamide

C28H35N3O2S — CID 143252782

IUPACN,N-diethyl-10-[3-[propyl(thiophen-2-ylmethyl)amino]propyl]phenoxazine-3-carboxamide
SMILESCCCN(CCCN1c2ccccc2Oc2cc(C(=O)N(CC)CC)ccc21)Cc1cccs1
InChIInChI=1S/C28H35N3O2S/c1-4-16-29(21-23-11-9-19-34-23)17-10-18-31-24-12-7-8-13-26(24)33-27-20-22(14-15-25(27)31)28(32)30(5-2)6-3/h7-9,11-15,19-20H,4-6,10,16-18,21H2,1-3H3
InChIKeyUBSFOAQAVOCVCC-UHFFFAOYSA-N
MW477.67 g/mol
LogP6.78
Rot. Bonds11

About N,N-diethyl-10-[3-[propyl(thiophen-2-ylmethyl)amino]propyl]phenoxazine-3-carboxamide

N,N-diethyl-10-[3-[propyl(thiophen-2-ylmethyl)amino]propyl]phenoxazine-3-carboxamide (PubChem CID 143252782) has the molecular formula C28H35N3O2S and a molecular weight of 477.67 g/mol. Its IUPAC name is N,N-diethyl-10-[3-[propyl(thiophen-2-ylmethyl)amino]propyl]phenoxazine-3-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-10-[3-[propyl(thiophen-2-ylmethyl)amino]propyl]phenoxazine-3-carboxamide
PubChem CID143252782
Molecular FormulaC28H35N3O2S
Molecular Weight477.67 g/mol
Exact Mass477.24
IUPAC NameN,N-diethyl-10-[3-[propyl(thiophen-2-ylmethyl)amino]propyl]phenoxazine-3-carboxamide
SMILESCCCN(CCCN1c2ccccc2Oc2cc(C(=O)N(CC)CC)ccc21)Cc1cccs1
InChIInChI=1S/C28H35N3O2S/c1-4-16-29(21-23-11-9-19-34-23)17-10-18-31-24-12-7-8-13-26(24)33-27-20-22(14-15-25(27)31)28(32)30(5-2)6-3/h7-9,11-15,19-20H,4-6,10,16-18,21H2,1-3H3
InChIKeyUBSFOAQAVOCVCC-UHFFFAOYSA-N
XLogP6.78
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.67
LogP ≤ 56.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_666_B(3)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-10-[3-[propyl(thiophen-2-ylmethyl)amino]propyl]phenoxazine-3-carboxamide?
The IUPAC name of N,N-diethyl-10-[3-[propyl(thiophen-2-ylmethyl)amino]propyl]phenoxazine-3-carboxamide (CID 143252782) is N,N-diethyl-10-[3-[propyl(thiophen-2-ylmethyl)amino]propyl]phenoxazine-3-carboxamide.
What is the SMILES notation for N,N-diethyl-10-[3-[propyl(thiophen-2-ylmethyl)amino]propyl]phenoxazine-3-carboxamide?
The canonical SMILES for N,N-diethyl-10-[3-[propyl(thiophen-2-ylmethyl)amino]propyl]phenoxazine-3-carboxamide is CCCN(CCCN1c2ccccc2Oc2cc(C(=O)N(CC)CC)ccc21)Cc1cccs1.
What is the InChIKey of N,N-diethyl-10-[3-[propyl(thiophen-2-ylmethyl)amino]propyl]phenoxazine-3-carboxamide?
The InChIKey is UBSFOAQAVOCVCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35N3O2S/c1-4-16-29(21-23-11-9-19-34-23)17-10-18-31-24-12-7-8-13-26(24)33-27-20-22(14-15-25(27)31)28(32)30(5-2)6-3/h7-9,11-15,19-20H,4-6,10,16-18,21H2,1-3H3.
What are the key properties of N,N-diethyl-10-[3-[propyl(thiophen-2-ylmethyl)amino]propyl]phenoxazine-3-carboxamide?
N,N-diethyl-10-[3-[propyl(thiophen-2-ylmethyl)amino]propyl]phenoxazine-3-carboxamide has a molecular weight of 477.67 g/mol, XLogP of 6.78, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-10-[3-[propyl(thiophen-2-ylmethyl)amino]propyl]phenoxazine-3-carboxamide is sourced from PubChem (CID 143252782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).