2-[4-[(2-methoxy-3,6-dimethylacridin-9-yl)amino]phenyl]ethyl N-methylcarbamate

C26H27N3O3 — CID 19749338

IUPAC2-[4-[(2-methoxy-3,6-dimethylacridin-9-yl)amino]phenyl]ethyl N-methylcarbamate
SMILESCNC(=O)OCCc1ccc(Nc2c3ccc(C)cc3nc3cc(C)c(OC)cc23)cc1
InChIInChI=1S/C26H27N3O3/c1-16-5-10-20-22(13-16)29-23-14-17(2)24(31-4)15-21(23)25(20)28-19-8-6-18(7-9-19)11-12-32-26(30)27-3/h5-10,13-15H,11-12H2,1-4H3,(H,27,30)(H,28,29)
InChIKeyMVCULJZCYODDDC-UHFFFAOYSA-N
MW429.52 g/mol
LogP5.66
Rot. Bonds6

About 2-[4-[(2-methoxy-3,6-dimethylacridin-9-yl)amino]phenyl]ethyl N-methylcarbamate

2-[4-[(2-methoxy-3,6-dimethylacridin-9-yl)amino]phenyl]ethyl N-methylcarbamate (PubChem CID 19749338) has the molecular formula C26H27N3O3 and a molecular weight of 429.52 g/mol. Its IUPAC name is 2-[4-[(2-methoxy-3,6-dimethylacridin-9-yl)amino]phenyl]ethyl N-methylcarbamate.

Molecular Properties

Compound Name2-[4-[(2-methoxy-3,6-dimethylacridin-9-yl)amino]phenyl]ethyl N-methylcarbamate
PubChem CID19749338
Molecular FormulaC26H27N3O3
Molecular Weight429.52 g/mol
Exact Mass429.21
IUPAC Name2-[4-[(2-methoxy-3,6-dimethylacridin-9-yl)amino]phenyl]ethyl N-methylcarbamate
SMILESCNC(=O)OCCc1ccc(Nc2c3ccc(C)cc3nc3cc(C)c(OC)cc23)cc1
InChIInChI=1S/C26H27N3O3/c1-16-5-10-20-22(13-16)29-23-14-17(2)24(31-4)15-21(23)25(20)28-19-8-6-18(7-9-19)11-12-32-26(30)27-3/h5-10,13-15H,11-12H2,1-4H3,(H,27,30)(H,28,29)
InChIKeyMVCULJZCYODDDC-UHFFFAOYSA-N
XLogP5.66
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.52
LogP ≤ 55.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'amino_acridine_A(46)', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

2-[4-[(2,3,7-trimethoxy-6-methylacridin-9-yl)amino]phenyl]ethyl N-methylcarbamate
CID 19749249
[4-[(2-methoxy-3,6-dimethylacridin-9-yl)amino]phenyl]methanol
CID 19749170
2-[4-[(3-methoxy-2,7-dimethylacridin-9-yl)amino]phenyl]ethyl N-propan-2-ylcarbamate
CID 19749407
2-[3-[(2,6-dimethylacridin-9-yl)amino]phenyl]ethyl N-methylcarbamate
CID 19749513
2-[3-[(2,3,6,7-tetramethoxyacridin-9-yl)amino]phenyl]ethyl N-methylcarbamate
CID 19749390
2-[4-[(6-methoxy-2-methylacridin-9-yl)amino]phenyl]ethyl N-propan-2-ylcarbamate
CID 19749369
[3-[(2-methoxy-3,6-dimethylacridin-9-yl)amino]phenyl]methyl N-propan-2-ylcarbamate
CID 19749128
[3-[(2-methoxy-6-methylacridin-9-yl)amino]phenyl]methyl N-methylcarbamate
CID 19749250
[3-[(2,3,7-trimethylacridin-9-yl)amino]phenyl]methyl N-methylcarbamate
CID 19749120
[3-[(3-methoxyacridin-9-yl)amino]phenyl]methyl N-methylcarbamate
CID 19749110
(N-(2,3-dimethoxy-7-methylacridin-1-yl)anilino)methyl N-methylcarbamate
CID 88511074
2-[2-(acridin-9-ylamino)phenyl]ethyl N-methylcarbamate
CID 19749332

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-methoxy-3,6-dimethylacridin-9-yl)amino]phenyl]ethyl N-methylcarbamate?
The IUPAC name of 2-[4-[(2-methoxy-3,6-dimethylacridin-9-yl)amino]phenyl]ethyl N-methylcarbamate (CID 19749338) is 2-[4-[(2-methoxy-3,6-dimethylacridin-9-yl)amino]phenyl]ethyl N-methylcarbamate.
What is the SMILES notation for 2-[4-[(2-methoxy-3,6-dimethylacridin-9-yl)amino]phenyl]ethyl N-methylcarbamate?
The canonical SMILES for 2-[4-[(2-methoxy-3,6-dimethylacridin-9-yl)amino]phenyl]ethyl N-methylcarbamate is CNC(=O)OCCc1ccc(Nc2c3ccc(C)cc3nc3cc(C)c(OC)cc23)cc1.
What is the InChIKey of 2-[4-[(2-methoxy-3,6-dimethylacridin-9-yl)amino]phenyl]ethyl N-methylcarbamate?
The InChIKey is MVCULJZCYODDDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O3/c1-16-5-10-20-22(13-16)29-23-14-17(2)24(31-4)15-21(23)25(20)28-19-8-6-18(7-9-19)11-12-32-26(30)27-3/h5-10,13-15H,11-12H2,1-4H3,(H,27,30)(H,28,29).
What are the key properties of 2-[4-[(2-methoxy-3,6-dimethylacridin-9-yl)amino]phenyl]ethyl N-methylcarbamate?
2-[4-[(2-methoxy-3,6-dimethylacridin-9-yl)amino]phenyl]ethyl N-methylcarbamate has a molecular weight of 429.52 g/mol, XLogP of 5.66, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-methoxy-3,6-dimethylacridin-9-yl)amino]phenyl]ethyl N-methylcarbamate is sourced from PubChem (CID 19749338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).