2-[2-(acridin-9-ylamino)phenyl]ethyl N-methylcarbamate

C23H21N3O2 — CID 19749332

IUPAC2-[2-(acridin-9-ylamino)phenyl]ethyl N-methylcarbamate
SMILESCNC(=O)OCCc1ccccc1Nc1c2ccccc2nc2ccccc12
InChIInChI=1S/C23H21N3O2/c1-24-23(27)28-15-14-16-8-2-5-11-19(16)26-22-17-9-3-6-12-20(17)25-21-13-7-4-10-18(21)22/h2-13H,14-15H2,1H3,(H,24,27)(H,25,26)
InChIKeyXZWDPPIWJUQZDP-UHFFFAOYSA-N
MW371.44 g/mol
LogP5.03
Rot. Bonds5

About 2-[2-(acridin-9-ylamino)phenyl]ethyl N-methylcarbamate

2-[2-(acridin-9-ylamino)phenyl]ethyl N-methylcarbamate (PubChem CID 19749332) has the molecular formula C23H21N3O2 and a molecular weight of 371.44 g/mol. Its IUPAC name is 2-[2-(acridin-9-ylamino)phenyl]ethyl N-methylcarbamate.

Molecular Properties

Compound Name2-[2-(acridin-9-ylamino)phenyl]ethyl N-methylcarbamate
PubChem CID19749332
Molecular FormulaC23H21N3O2
Molecular Weight371.44 g/mol
Exact Mass371.16
IUPAC Name2-[2-(acridin-9-ylamino)phenyl]ethyl N-methylcarbamate
SMILESCNC(=O)OCCc1ccccc1Nc1c2ccccc2nc2ccccc12
InChIInChI=1S/C23H21N3O2/c1-24-23(27)28-15-14-16-8-2-5-11-19(16)26-22-17-9-3-6-12-20(17)25-21-13-7-4-10-18(21)22/h2-13H,14-15H2,1H3,(H,24,27)(H,25,26)
InChIKeyXZWDPPIWJUQZDP-UHFFFAOYSA-N
XLogP5.03
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.44
LogP ≤ 55.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

[3-(acridin-9-ylamino)-5-aminophenyl]methyl N-methylcarbamate
CID 10248698
methyl N-[2-(acridin-9-ylamino)phenyl]carbamate;hydrochloride
CID 138402094
[4-[[2-(methoxymethyl)acridin-9-yl]amino]phenyl]methyl N-methylcarbamate
CID 54470782
2-[3-[(2,6-dimethylacridin-9-yl)amino]phenyl]ethyl N-methylcarbamate
CID 19749513
[3-[(3-methoxyacridin-9-yl)amino]phenyl]methyl N-methylcarbamate
CID 19749110
[4-(acridin-9-ylamino)-3-(2-methoxyethyl)phenyl]sulfamoyl methanesulfonate
CID 155095239
2-[3-[(2,3,6,7-tetramethoxyacridin-9-yl)amino]phenyl]ethyl N-methylcarbamate
CID 19749390
N-[2-[9-[2-(acridin-9-ylamino)phenoxy]nonoxy]phenyl]acridin-9-amine;dihydrochloride
CID 138401067
N-[2-[7-[2-(acridin-9-ylamino)phenoxy]heptoxy]phenyl]acridin-9-amine;hydrochloride
CID 90680004
N-[2-(acridin-9-ylamino)phenyl]methanesulfonamide
CID 10428796
bis[2-[2-(pyridin-2-ylamino)phenyl]ethyl] carbonate
CID 67462750
ethyl 2-[2-(acridin-9-ylamino)-6-amino-4-(hydroxymethyl)phenyl]acetate
CID 18962425

Frequently Asked Questions

What is the IUPAC name of 2-[2-(acridin-9-ylamino)phenyl]ethyl N-methylcarbamate?
The IUPAC name of 2-[2-(acridin-9-ylamino)phenyl]ethyl N-methylcarbamate (CID 19749332) is 2-[2-(acridin-9-ylamino)phenyl]ethyl N-methylcarbamate.
What is the SMILES notation for 2-[2-(acridin-9-ylamino)phenyl]ethyl N-methylcarbamate?
The canonical SMILES for 2-[2-(acridin-9-ylamino)phenyl]ethyl N-methylcarbamate is CNC(=O)OCCc1ccccc1Nc1c2ccccc2nc2ccccc12.
What is the InChIKey of 2-[2-(acridin-9-ylamino)phenyl]ethyl N-methylcarbamate?
The InChIKey is XZWDPPIWJUQZDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O2/c1-24-23(27)28-15-14-16-8-2-5-11-19(16)26-22-17-9-3-6-12-20(17)25-21-13-7-4-10-18(21)22/h2-13H,14-15H2,1H3,(H,24,27)(H,25,26).
What are the key properties of 2-[2-(acridin-9-ylamino)phenyl]ethyl N-methylcarbamate?
2-[2-(acridin-9-ylamino)phenyl]ethyl N-methylcarbamate has a molecular weight of 371.44 g/mol, XLogP of 5.03, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(acridin-9-ylamino)phenyl]ethyl N-methylcarbamate is sourced from PubChem (CID 19749332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).